Identifier,Type,Program,Program_version,Sf_ID,Entry_ID,Comp_ID
Cyclohexanecarboxylic acid,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,11353,bmse000546,BMET000546
"(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID",SYSTEMATIC NAME,na,na,20206,bmse001100,BMET001100
"(4S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20206,bmse001100,BMET001100
"(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,20206,bmse001100,BMET001100
"(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",PUBCHEM_IUPAC_NAME,na,na,20206,bmse001100,BMET001100
"(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20206,bmse001100,BMET001100
"(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20206,bmse001100,BMET001100
"(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20206,bmse001100,BMET001100
"2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20206,bmse001100,BMET001100
"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20227,bmse001101,BMET001101
"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde",PUBCHEM_IUPAC_NAME,na,na,20227,bmse001101,BMET001101
"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20227,bmse001101,BMET001101
"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20227,bmse001101,BMET001101
"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde",PUBCHEM_IUPAC_CAS_NAME,na,na,20227,bmse001101,BMET001101
(Z)-11-octadecenoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,20248,bmse001102,BMET001102
(Z)-octadec-11-enoic acid,PUBCHEM_IUPAC_NAME,na,na,20248,bmse001102,BMET001102
(Z)-octadec-11-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20248,bmse001102,BMET001102
(Z)-octadec-11-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20248,bmse001102,BMET001102
(Z)-octadec-11-enoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20248,bmse001102,BMET001102
VACCENIC ACID,SYSTEMATIC NAME,na,na,20248,bmse001102,BMET001102
asclepic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20248,bmse001102,BMET001102
"5,7-bis(oxidanyl)-2-phenyl-chromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20269,bmse001103,BMET001103
"5,7-dihydroxy-2-phenyl-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,20269,bmse001103,BMET001103
"5,7-dihydroxy-2-phenyl-chromen-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20269,bmse001103,BMET001103
"5,7-dihydroxy-2-phenyl-chromone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20269,bmse001103,BMET001103
"5,7-dihydroxy-2-phenylchromen-4-one",PUBCHEM_IUPAC_NAME,na,na,20269,bmse001103,BMET001103
"5,7-dihydroxy-2-phenylchromen-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20269,bmse001103,BMET001103
chrysin,SYSTEMATIC NAME,na,na,20269,bmse001103,BMET001103
PENTYL BENZOATE,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20290,bmse001104,BMET001104
benzoic acid amyl ester,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20290,bmse001104,BMET001104
benzoic acid pentyl ester,PUBCHEM_IUPAC_CAS_NAME,na,na,20290,bmse001104,BMET001104
pentyl benzoate,PUBCHEM_IUPAC_NAME,na,na,20290,bmse001104,BMET001104
pentyl benzoate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20290,bmse001104,BMET001104
pentyl benzoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20290,bmse001104,BMET001104
"(Z)-9-octadecenoic acid [(2R)-3-[[3-[[(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester",PUBCHEM_IUPAC_CAS_NAME,na,na,20311,bmse001105,BMET001105
"(Z)-octadec-9-enoic acid [(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20311,bmse001105,BMET001105
"[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20311,bmse001105,BMET001105
"[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate",PUBCHEM_IUPAC_NAME,na,na,20311,bmse001105,BMET001105
"[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20311,bmse001105,BMET001105
"zinc;5,10,15,20-tetraphenylporphine-22,24-diide",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20332,bmse001106,BMET001106
"zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide",PUBCHEM_IUPAC_CAS_NAME,na,na,20332,bmse001106,BMET001106
"zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide",PUBCHEM_IUPAC_NAME,na,na,20332,bmse001106,BMET001106
"zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20332,bmse001106,BMET001106
"zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20332,bmse001106,BMET001106
"[3-(1-oxohexadecoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate",PUBCHEM_IUPAC_CAS_NAME,na,na,20353,bmse001107,BMET001107
"[3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20353,bmse001107,BMET001107
"[3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20353,bmse001107,BMET001107
"[3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] [(5R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20353,bmse001107,BMET001107
"[3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate",PUBCHEM_IUPAC_NAME,na,na,20353,bmse001107,BMET001107
Nonanal,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20374,bmse001108,BMET001108
nonanal,PUBCHEM_IUPAC_CAS_NAME,na,na,20374,bmse001108,BMET001108
nonanal,PUBCHEM_IUPAC_NAME,na,na,20374,bmse001108,BMET001108
nonanal,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20374,bmse001108,BMET001108
nonanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20374,bmse001108,BMET001108
pelargonaldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20374,bmse001108,BMET001108
[(E)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20395,bmse001109,BMET001109
[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_NAME,na,na,20395,bmse001109,BMET001109
[(E)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20395,bmse001109,BMET001109
[(E)-3-hydroxy-2-(1-oxohexadecylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_CAS_NAME,na,na,20395,bmse001109,BMET001109
[(E)-3-hydroxy-2-palmitamido-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20395,bmse001109,BMET001109
"sodium 2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20416,bmse001110,BMET001110
"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20416,bmse001110,BMET001110
"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetate",PUBCHEM_IUPAC_CAS_NAME,na,na,20416,bmse001110,BMET001110
"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",PUBCHEM_IUPAC_NAME,na,na,20416,bmse001110,BMET001110
"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20416,bmse001110,BMET001110
"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20416,bmse001110,BMET001110
"(3R,4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20437,bmse001111,BMET001111
"(3R,4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20437,bmse001111,BMET001111
"(3R,4aS,5R)-4a,5-dimethyl-3-(1-methylethenyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene",PUBCHEM_IUPAC_CAS_NAME,na,na,20437,bmse001111,BMET001111
"(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",PUBCHEM_IUPAC_NAME,na,na,20437,bmse001111,BMET001111
"(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20437,bmse001111,BMET001111
"(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20437,bmse001111,BMET001111
"4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20437,bmse001111,BMET001111
"(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20458,bmse001112,BMET001112
"(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",PUBCHEM_IUPAC_NAME,na,na,20458,bmse001112,BMET001112
"(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20458,bmse001112,BMET001112
"(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20458,bmse001112,BMET001112
"(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxymethyl]-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20458,bmse001112,BMET001112
"(2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",PUBCHEM_IUPAC_CAS_NAME,na,na,20458,bmse001112,BMET001112
"2-[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20458,bmse001112,BMET001112
beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside,SYSTEMATIC NAME,na,na,20458,bmse001112,BMET001112
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-methylol-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20479,bmse001113,BMET001113
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,20479,bmse001113,BMET001113
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",PUBCHEM_IUPAC_NAME,na,na,20479,bmse001113,BMET001113
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20479,bmse001113,BMET001113
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20479,bmse001113,BMET001113
"(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20479,bmse001113,BMET001113
"8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20479,bmse001113,BMET001113
(E)-3-(1H-indol-3-yl)-2-propenoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,20500,bmse001114,BMET001114
(E)-3-(1H-indol-3-yl)acrylic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20500,bmse001114,BMET001114
(E)-3-(1H-indol-3-yl)prop-2-enoic acid,PUBCHEM_IUPAC_NAME,na,na,20500,bmse001114,BMET001114
(E)-3-(1H-indol-3-yl)prop-2-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20500,bmse001114,BMET001114
(E)-3-(1H-indol-3-yl)prop-2-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20500,bmse001114,BMET001114
3-(1H-indol-3-yl)prop-2-enoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20500,bmse001114,BMET001114
"2-[2,3-bis(1-oxohexoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium",PUBCHEM_IUPAC_CAS_NAME,na,na,20520,bmse001115,BMET001115
"2-[2,3-di(hexanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20520,bmse001115,BMET001115
"2-[2,3-di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium",PUBCHEM_IUPAC_NAME,na,na,20520,bmse001115,BMET001115
"2-[2,3-di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20520,bmse001115,BMET001115
"2-[2,3-di(hexanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20520,bmse001115,BMET001115
"2-[2,3-dicaproyloxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20520,bmse001115,BMET001115
"sodium (10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) sulfate",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20583,bmse001118,BMET001118
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine,SYSTEMATIC NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_CAS_NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_NAME,na,na,20604,bmse001119,BMET001119
[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20604,bmse001119,BMET001119
"methyl (10E,12Z)-octadeca-10,12-dienoate",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20625,bmse001120,BMET001120
"(2S)-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20646,bmse001121,BMET001121
"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_NAME,na,na,20646,bmse001121,BMET001121
"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,20646,bmse001121,BMET001121
"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20646,bmse001121,BMET001121
"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20646,bmse001121,BMET001121
"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20646,bmse001121,BMET001121
"5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20646,bmse001121,BMET001121
NARINGENIN,SYSTEMATIC NAME,na,na,20646,bmse001121,BMET001121
"3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE",SYSTEMATIC NAME,na,na,20667,bmse001122,BMET001122
"3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20667,bmse001122,BMET001122
"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone",PUBCHEM_IUPAC_CAS_NAME,na,na,20667,bmse001122,BMET001122
"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",PUBCHEM_IUPAC_NAME,na,na,20667,bmse001122,BMET001122
"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20667,bmse001122,BMET001122
"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20667,bmse001122,BMET001122
"3-(4-hydroxyphenyl)-1-[2,4,6-tris(oxidanyl)phenyl]propan-1-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20667,bmse001122,BMET001122
"(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20688,bmse001123,BMET001123
"3,7,11,15-tetramethyl-2-hexadecen-1-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,20688,bmse001123,BMET001123
"3,7,11,15-tetramethylhexadec-2-en-1-ol",PUBCHEM_IUPAC_NAME,na,na,20688,bmse001123,BMET001123
"3,7,11,15-tetramethylhexadec-2-en-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20688,bmse001123,BMET001123
"3,7,11,15-tetramethylhexadec-2-en-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20688,bmse001123,BMET001123
"3,7,11,15-tetramethylhexadec-2-en-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20688,bmse001123,BMET001123
"5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",SYSTEMATIC NAME,na,na,20708,bmse001124,BMET001124
"5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20708,bmse001124,BMET001124
"(2E)-3,7-dimethyl-1-octa-2,6-dienol",PUBCHEM_IUPAC_CAS_NAME,na,na,20729,bmse001125,BMET001125
"(2E)-3,7-dimethylocta-2,6-dien-1-ol",PUBCHEM_IUPAC_NAME,na,na,20729,bmse001125,BMET001125
"(2E)-3,7-dimethylocta-2,6-dien-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20729,bmse001125,BMET001125
"(2E)-3,7-dimethylocta-2,6-dien-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20729,bmse001125,BMET001125
"(2E)-3,7-dimethylocta-2,6-dien-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20729,bmse001125,BMET001125
"(2E)-3,7-dimethylocta-2,6-dien-1-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20729,bmse001125,BMET001125
Geraniol,SYSTEMATIC NAME,na,na,20729,bmse001125,BMET001125
"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide;dihydrochloride",PUBCHEM_IUPAC_CAS_NAME,na,na,20750,bmse001126,BMET001126
"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride",PUBCHEM_IUPAC_NAME,na,na,20750,bmse001126,BMET001126
"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20750,bmse001126,BMET001126
"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide;dihydrochloride",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20750,bmse001126,BMET001126
"(2S)-2-azanyl-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20750,bmse001126,BMET001126
"(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20771,bmse001127,BMET001127
"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20771,bmse001127,BMET001127
"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20771,bmse001127,BMET001127
"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one",PUBCHEM_IUPAC_NAME,na,na,20771,bmse001127,BMET001127
"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,20771,bmse001127,BMET001127
"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20771,bmse001127,BMET001127
"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20771,bmse001127,BMET001127
"(3S,5R,10S,13R,14R,17R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20792,bmse001128,BMET001128
"(3S,5R,10S,13R,14R,17R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20792,bmse001128,BMET001128
"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,20792,bmse001128,BMET001128
"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,na,na,20792,bmse001128,BMET001128
"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20792,bmse001128,BMET001128
"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20792,bmse001128,BMET001128
"4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20792,bmse001128,BMET001128
2-hydroxy-6-methoxy-1-benzopyran-7-one,PUBCHEM_IUPAC_CAS_NAME,na,na,20810,bmse001129,BMET001129
2-hydroxy-6-methoxy-chromen-7-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20810,bmse001129,BMET001129
2-hydroxy-6-methoxy-chromen-7-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20810,bmse001129,BMET001129
2-hydroxy-6-methoxychromen-7-one,PUBCHEM_IUPAC_NAME,na,na,20810,bmse001129,BMET001129
6-methoxy-2-oxidanyl-chromen-7-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20810,bmse001129,BMET001129
SPECTINOMYCIN,SYSTEMATIC NAME,na,na,20831,bmse001130,BMET001130
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_CAS_NAME,na,na,20852,bmse001131,BMET001131
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_NAME,na,na,20852,bmse001131,BMET001131
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20852,bmse001131,BMET001131
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20852,bmse001131,BMET001131
"1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20852,bmse001131,BMET001131
"1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20852,bmse001131,BMET001131
BETA-CAROTENE,SYSTEMATIC NAME,na,na,20852,bmse001131,BMET001131
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20873,bmse001132,BMET001132
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,20873,bmse001132,BMET001132
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_NAME,na,na,20873,bmse001132,BMET001132
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20873,bmse001132,BMET001132
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20873,bmse001132,BMET001132
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20873,bmse001132,BMET001132
"4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20873,bmse001132,BMET001132
CHENODEOXYCHOLIC ACID,SYSTEMATIC NAME,na,na,20873,bmse001132,BMET001132
N-(4-aminobutyl)acetamide,PUBCHEM_IUPAC_CAS_NAME,na,na,20893,bmse001133,BMET001133
N-(4-aminobutyl)acetamide,PUBCHEM_IUPAC_NAME,na,na,20893,bmse001133,BMET001133
N-(4-aminobutyl)acetamide,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20893,bmse001133,BMET001133
N-(4-aminobutyl)acetamide,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20893,bmse001133,BMET001133
N-(4-aminobutyl)acetamide,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20893,bmse001133,BMET001133
N-(4-azanylbutyl)ethanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20893,bmse001133,BMET001133
2-(aminomethyleneammonio)acetate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20913,bmse001134,BMET001134
2-(aminomethyleneammonio)acetate,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20913,bmse001134,BMET001134
2-(aminomethylideneammonio)acetate,PUBCHEM_IUPAC_CAS_NAME,na,na,20913,bmse001134,BMET001134
2-(aminomethylideneazaniumyl)acetate,PUBCHEM_IUPAC_NAME,na,na,20913,bmse001134,BMET001134
2-(azanylmethylideneazaniumyl)ethanoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20913,bmse001134,BMET001134
"(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_CAS_NAME,na,na,20934,bmse001135,BMET001135
"(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_NAME,na,na,20934,bmse001135,BMET001135
"(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20934,bmse001135,BMET001135
"(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20934,bmse001135,BMET001135
"(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20934,bmse001135,BMET001135
"(8R,9S,10R,13S,14S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20934,bmse001135,BMET001135
"17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20934,bmse001135,BMET001135
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",PUBCHEM_IUPAC_CAS_NAME,na,na,20955,bmse001136,BMET001136
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",PUBCHEM_IUPAC_NAME,na,na,20955,bmse001136,BMET001136
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20955,bmse001136,BMET001136
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20955,bmse001136,BMET001136
"5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20955,bmse001136,BMET001136
5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20955,bmse001136,BMET001136
RESVERATROL,SYSTEMATIC NAME,na,na,20955,bmse001136,BMET001136
2-[hydroxy-[2-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium,PUBCHEM_IUPAC_CAS_NAME,na,na,20976,bmse001137,BMET001137
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20976,bmse001137,BMET001137
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20976,bmse001137,BMET001137
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium,PUBCHEM_IUPAC_NAME,na,na,20976,bmse001137,BMET001137
2-[hydroxy-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium,SYSTEMATIC NAME,cactus.nci.nih.gov,na,20976,bmse001137,BMET001137
trimethyl-[2-[[3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20976,bmse001137,BMET001137
"3,7-Dimethylocta-1,6-dien-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,20997,bmse001138,BMET001138
"3,7-dimethyl-3-octa-1,6-dienol",PUBCHEM_IUPAC_CAS_NAME,na,na,20997,bmse001138,BMET001138
"3,7-dimethylocta-1,6-dien-3-ol",PUBCHEM_IUPAC_NAME,na,na,20997,bmse001138,BMET001138
"3,7-dimethylocta-1,6-dien-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,20997,bmse001138,BMET001138
"3,7-dimethylocta-1,6-dien-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,20997,bmse001138,BMET001138
"3,7-dimethylocta-1,6-dien-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,20997,bmse001138,BMET001138
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",PUBCHEM_IUPAC_CAS_NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",PUBCHEM_IUPAC_NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21018,bmse001139,BMET001139
"13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21018,bmse001139,BMET001139
ESTRIOL,SYSTEMATIC NAME,na,na,21018,bmse001139,BMET001139
"(8R,9S,13S,14S)-13-methyl-2,3-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21038,bmse001140,BMET001140
"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21038,bmse001140,BMET001140
"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_NAME,na,na,21038,bmse001140,BMET001140
"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21038,bmse001140,BMET001140
"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21038,bmse001140,BMET001140
"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21038,bmse001140,BMET001140
"2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21038,bmse001140,BMET001140
"2-methylnaphthalene-1,4-dione",PUBCHEM_IUPAC_CAS_NAME,na,na,21059,bmse001141,BMET001141
"2-methylnaphthalene-1,4-dione",PUBCHEM_IUPAC_NAME,na,na,21059,bmse001141,BMET001141
532-24-1,CAS REGISRY NUMBER,na,na,22972,bmse001229,BMET001229
"2-methylnaphthalene-1,4-dione",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21059,bmse001141,BMET001141
"2-methylnaphthalene-1,4-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21059,bmse001141,BMET001141
"2-methylnaphthalene-1,4-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21059,bmse001141,BMET001141
MENADIONE,SYSTEMATIC NAME,na,na,21059,bmse001141,BMET001141
menadione,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21059,bmse001141,BMET001141
"(2S,3S)-2-amino-3-hydroxy-butanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21080,bmse001142,BMET001142
"(2S,3S)-2-amino-3-hydroxy-butyric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21080,bmse001142,BMET001142
"(2S,3S)-2-amino-3-hydroxybutanoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21080,bmse001142,BMET001142
"(2S,3S)-2-amino-3-hydroxybutanoic acid",PUBCHEM_IUPAC_NAME,na,na,21080,bmse001142,BMET001142
"(2S,3S)-2-amino-3-hydroxybutanoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21080,bmse001142,BMET001142
"(2S,3S)-2-azanyl-3-oxidanyl-butanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21080,bmse001142,BMET001142
2-amino-3-hydroxybutanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21080,bmse001142,BMET001142
ALLO-THREONINE,SYSTEMATIC NAME,na,na,21080,bmse001142,BMET001142
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one;trihydrate",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21101,bmse001143,BMET001143
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone;trihydrate",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21101,bmse001143,BMET001143
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one trihydrate",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21101,bmse001143,BMET001143
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate",PUBCHEM_IUPAC_NAME,na,na,21101,bmse001143,BMET001143
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one trihydrate",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21101,bmse001143,BMET001143
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one;trihydrate",PUBCHEM_IUPAC_CAS_NAME,na,na,21101,bmse001143,BMET001143
"2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one;trihydrate",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21101,bmse001143,BMET001143
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,21122,bmse001144,BMET001144
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_NAME,na,na,21122,bmse001144,BMET001144
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21122,bmse001144,BMET001144
(2R)-2-amino-3-(1H-imidazol-5-yl)propionic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21122,bmse001144,BMET001144
(2R)-2-amino-3-(3H-imidazol-4-yl)propanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21122,bmse001144,BMET001144
(2R)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21122,bmse001144,BMET001144
2-amino-3-(3H-imidazol-4-yl)propanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21122,bmse001144,BMET001144
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21143,bmse001145,BMET001145
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",PUBCHEM_IUPAC_NAME,na,na,21143,bmse001145,BMET001145
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21143,bmse001145,BMET001145
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21143,bmse001145,BMET001145
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21143,bmse001145,BMET001145
"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21143,bmse001145,BMET001145
"(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21164,bmse001146,BMET001146
"(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21164,bmse001146,BMET001146
"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",PUBCHEM_IUPAC_NAME,na,na,21164,bmse001146,BMET001146
"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21164,bmse001146,BMET001146
"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21164,bmse001146,BMET001146
"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21164,bmse001146,BMET001146
"5,8,11,14,17-EICOSAPENTAENOIC ACID",SYSTEMATIC NAME,na,na,21164,bmse001146,BMET001146
"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",PUBCHEM_IUPAC_CAS_NAME,na,na,21185,bmse001147,BMET001147
"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",PUBCHEM_IUPAC_NAME,na,na,21185,bmse001147,BMET001147
"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",SYSTEMATIC NAME,na,na,21185,bmse001147,BMET001147
"(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21185,bmse001147,BMET001147
"(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21185,bmse001147,BMET001147
"(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21185,bmse001147,BMET001147
"(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21185,bmse001147,BMET001147
"2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21185,bmse001147,BMET001147
6-Methylhept-5-en-2-one,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21206,bmse001148,BMET001148
6-methyl-5-hepten-2-one,PUBCHEM_IUPAC_CAS_NAME,na,na,21206,bmse001148,BMET001148
6-methylhept-5-en-2-one,PUBCHEM_IUPAC_NAME,na,na,21206,bmse001148,BMET001148
6-methylhept-5-en-2-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21206,bmse001148,BMET001148
6-methylhept-5-en-2-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21206,bmse001148,BMET001148
6-methylhept-5-en-2-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21206,bmse001148,BMET001148
6-methylhept-5-en-2-one,SYSTEMATIC NAME,na,na,21206,bmse001148,BMET001148
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,21227,bmse001149,BMET001149
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",PUBCHEM_IUPAC_NAME,na,na,21227,bmse001149,BMET001149
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21227,bmse001149,BMET001149
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21227,bmse001149,BMET001149
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21227,bmse001149,BMET001149
"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21227,bmse001149,BMET001149
"17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21227,bmse001149,BMET001149
"(4R)-4-amino-1,2-oxazolidin-3-one",PUBCHEM_IUPAC_NAME,na,na,21248,bmse001150,BMET001150
"(4R)-4-amino-1,2-oxazolidin-3-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21248,bmse001150,BMET001150
(4R)-4-amino-3-isoxazolidinone,PUBCHEM_IUPAC_CAS_NAME,na,na,21248,bmse001150,BMET001150
(4R)-4-aminoisoxazolidin-3-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21248,bmse001150,BMET001150
(4R)-4-aminoisoxazolidin-3-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21248,bmse001150,BMET001150
"(4R)-4-azanyl-1,2-oxazolidin-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21248,bmse001150,BMET001150
(R)-4-AMINO-ISOXAZOLIDIN-3-ONE,SYSTEMATIC NAME,na,na,21248,bmse001150,BMET001150
"4-amino-1,2-oxazolidin-3-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21248,bmse001150,BMET001150
Methyldisulfanylmethane,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21267,bmse001151,BMET001151
(methyltrisulfanyl)methane,PUBCHEM_IUPAC_CAS_NAME,na,na,21285,bmse001152,BMET001152
(methyltrisulfanyl)methane,PUBCHEM_IUPAC_NAME,na,na,21285,bmse001152,BMET001152
(methyltrisulfanyl)methane,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21285,bmse001152,BMET001152
(methyltrisulfanyl)methane,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21285,bmse001152,BMET001152
(methyltrisulfanyl)methane,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21285,bmse001152,BMET001152
methylsulfanyldisulfanylmethane,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21285,bmse001152,BMET001152
2-methyl-5-propan-2-yl-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21326,bmse001154,BMET001154
2-methyl-5-propan-2-ylphenol,PUBCHEM_IUPAC_CAS_NAME,na,na,21326,bmse001154,BMET001154
2-methyl-5-propan-2-ylphenol,PUBCHEM_IUPAC_NAME,na,na,21326,bmse001154,BMET001154
2-methyl-5-propan-2-ylphenol,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21326,bmse001154,BMET001154
5-isopropyl-2-methyl-phenol,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21326,bmse001154,BMET001154
carvacrol,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21326,bmse001154,BMET001154
"3,7-Dimethyloct-6-en-1-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21347,bmse001155,BMET001155
"3,7-dimethyl-6-octen-1-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,21347,bmse001155,BMET001155
"3,7-dimethyloct-6-en-1-ol",PUBCHEM_IUPAC_NAME,na,na,21347,bmse001155,BMET001155
"3,7-dimethyloct-6-en-1-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21347,bmse001155,BMET001155
"3,7-dimethyloct-6-en-1-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21347,bmse001155,BMET001155
"3,7-dimethyloct-6-en-1-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21347,bmse001155,BMET001155
"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21368,bmse001156,BMET001156
"1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21368,bmse001156,BMET001156
"1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21368,bmse001156,BMET001156
"1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21368,bmse001156,BMET001156
"1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",PUBCHEM_IUPAC_CAS_NAME,na,na,21368,bmse001156,BMET001156
"1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",PUBCHEM_IUPAC_NAME,na,na,21368,bmse001156,BMET001156
"4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21389,bmse001157,BMET001157
"4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21389,bmse001157,BMET001157
"4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,na,na,21389,bmse001157,BMET001157
"4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol",PUBCHEM_IUPAC_NAME,na,na,21389,bmse001157,BMET001157
"4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21389,bmse001157,BMET001157
"4-[(2S,3R)-4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21389,bmse001157,BMET001157
"4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21389,bmse001157,BMET001157
2-amino-4-(ethylthio)butanoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,21410,bmse001158,BMET001158
2-amino-4-(ethylthio)butyric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21410,bmse001158,BMET001158
2-amino-4-ethylsulfanyl-butanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21410,bmse001158,BMET001158
2-amino-4-ethylsulfanylbutanoic acid,PUBCHEM_IUPAC_NAME,na,na,21410,bmse001158,BMET001158
2-amino-4-ethylsulfanylbutanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21410,bmse001158,BMET001158
2-azanyl-4-ethylsulfanyl-butanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21410,bmse001158,BMET001158
4-hydroxy-2-phenyl-1-benzopyran-7-one,PUBCHEM_IUPAC_CAS_NAME,na,na,21431,bmse001159,BMET001159
4-hydroxy-2-phenyl-chromen-7-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21431,bmse001159,BMET001159
4-hydroxy-2-phenyl-chromen-7-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21431,bmse001159,BMET001159
4-hydroxy-2-phenylchromen-7-one,PUBCHEM_IUPAC_NAME,na,na,21431,bmse001159,BMET001159
4-oxidanyl-2-phenyl-chromen-7-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21431,bmse001159,BMET001159
3-keto-N-(2-ketotetrahydrofuran-3-yl)lauramide,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21452,bmse001160,BMET001160
3-oxidanylidene-N-(2-oxidanylideneoxolan-3-yl)dodecanamide,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21452,bmse001160,BMET001160
3-oxo-N-(2-oxo-3-oxolanyl)dodecanamide,PUBCHEM_IUPAC_CAS_NAME,na,na,21452,bmse001160,BMET001160
3-oxo-N-(2-oxooxolan-3-yl)dodecanamide,PUBCHEM_IUPAC_NAME,na,na,21452,bmse001160,BMET001160
3-oxo-N-(2-oxooxolan-3-yl)dodecanamide,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21452,bmse001160,BMET001160
3-oxo-N-(2-oxotetrahydrofuran-3-yl)dodecanamide,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21452,bmse001160,BMET001160
"3-acetamido-5-(acetyl-methylamino)-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21473,bmse001161,BMET001161
"3-acetamido-5-(acetyl-methylamino)-2,4,6-triiodo-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21473,bmse001161,BMET001161
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]benzamide",PUBCHEM_IUPAC_CAS_NAME,na,na,21473,bmse001161,BMET001161
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide",PUBCHEM_IUPAC_NAME,na,na,21473,bmse001161,BMET001161
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21473,bmse001161,BMET001161
"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]benzamide",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21473,bmse001161,BMET001161
"3-acetamido-5-[ethanoyl(methyl)amino]-N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-2,4,6-tris(iodanyl)benzamide",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21473,bmse001161,BMET001161
AZULENE,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21494,bmse001162,BMET001162
azulene,PUBCHEM_IUPAC_CAS_NAME,na,na,21494,bmse001162,BMET001162
azulene,PUBCHEM_IUPAC_NAME,na,na,21494,bmse001162,BMET001162
azulene,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21494,bmse001162,BMET001162
azulene,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21494,bmse001162,BMET001162
azulene,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21494,bmse001162,BMET001162
"3-octadecoxypropane-1,2-diol",PUBCHEM_IUPAC_CAS_NAME,na,na,21515,bmse001163,BMET001163
"3-octadecoxypropane-1,2-diol",PUBCHEM_IUPAC_NAME,na,na,21515,bmse001163,BMET001163
"3-octadecoxypropane-1,2-diol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21515,bmse001163,BMET001163
"3-octadecoxypropane-1,2-diol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21515,bmse001163,BMET001163
"3-octadecoxypropane-1,2-diol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21515,bmse001163,BMET001163
"3-stearyloxypropane-1,2-diol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21515,bmse001163,BMET001163
"(8R,9S,13S,14S,16R,17R)-13-methyl-3,16,17-tris(oxidanyl)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21535,bmse001164,BMET001164
"(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21535,bmse001164,BMET001164
"(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",PUBCHEM_IUPAC_NAME,na,na,21535,bmse001164,BMET001164
"(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21535,bmse001164,BMET001164
"(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21535,bmse001164,BMET001164
"(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21535,bmse001164,BMET001164
"3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21535,bmse001164,BMET001164
"10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_CAS_NAME,na,na,21556,bmse001165,BMET001165
"10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_NAME,na,na,21556,bmse001165,BMET001165
"10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21556,bmse001165,BMET001165
"10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21556,bmse001165,BMET001165
"17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21556,bmse001165,BMET001165
"17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21556,bmse001165,BMET001165
5-PHENYLVALERIC ACID,SYSTEMATIC NAME,na,na,21575,bmse001166,BMET001166
5-Phenylpentanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21575,bmse001166,BMET001166
5-phenylpentanoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,21575,bmse001166,BMET001166
5-phenylpentanoic acid,PUBCHEM_IUPAC_NAME,na,na,21575,bmse001166,BMET001166
5-phenylpentanoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21575,bmse001166,BMET001166
5-phenylpentanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21575,bmse001166,BMET001166
5-phenylvaleric acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21575,bmse001166,BMET001166
"2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21596,bmse001167,BMET001167
"3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE",SYSTEMATIC NAME,na,na,21596,bmse001167,BMET001167
"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21596,bmse001167,BMET001167
"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one",PUBCHEM_IUPAC_NAME,na,na,21596,bmse001167,BMET001167
"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21596,bmse001167,BMET001167
"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21596,bmse001167,BMET001167
"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21596,bmse001167,BMET001167
(2-hydroxy-3-tetradecanoyloxypropyl) 2-trimethylazaniumylethyl phosphate,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21617,bmse001168,BMET001168
[(2R)-2-hydroxy-3-(1-oxotetradecoxy)propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_CAS_NAME,na,na,21617,bmse001168,BMET001168
[(2R)-2-hydroxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21617,bmse001168,BMET001168
[(2R)-2-hydroxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21617,bmse001168,BMET001168
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_NAME,na,na,21617,bmse001168,BMET001168
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21617,bmse001168,BMET001168
[(2R)-2-oxidanyl-3-tetradecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21617,bmse001168,BMET001168
"(3R,5R,8S,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21637,bmse001169,BMET001169
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_CAS_NAME,na,na,21637,bmse001169,BMET001169
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_NAME,na,na,21637,bmse001169,BMET001169
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21637,bmse001169,BMET001169
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21637,bmse001169,BMET001169
"(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-quinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21637,bmse001169,BMET001169
"3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21637,bmse001169,BMET001169
"17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21658,bmse001170,BMET001170
"17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",PUBCHEM_IUPAC_NAME,na,na,21658,bmse001170,BMET001170
"17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21658,bmse001170,BMET001170
"17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21658,bmse001170,BMET001170
"17-acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21658,bmse001170,BMET001170
"17-ethanoyl-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21658,bmse001170,BMET001170
"1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_CAS_NAME,na,na,21679,bmse001171,BMET001171
"1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_NAME,na,na,21679,bmse001171,BMET001171
"1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21679,bmse001171,BMET001171
"1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21679,bmse001171,BMET001171
"1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21679,bmse001171,BMET001171
"1-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21679,bmse001171,BMET001171
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21700,bmse001172,BMET001172
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_NAME,na,na,21700,bmse001172,BMET001172
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21700,bmse001172,BMET001172
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21700,bmse001172,BMET001172
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21700,bmse001172,BMET001172
"(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21700,bmse001172,BMET001172
"13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21700,bmse001172,BMET001172
"3-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one",SYSTEMATIC NAME,na,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one",PUBCHEM_IUPAC_NAME,na,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21721,bmse001173,BMET001173
"5,7-dihydroxy-3-(4-methoxyphenyl)chromone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21721,bmse001173,BMET001173
"3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21742,bmse001174,BMET001174
"5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one",PUBCHEM_IUPAC_CAS_NAME,na,na,21742,bmse001174,BMET001174
"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one",PUBCHEM_IUPAC_NAME,na,na,21742,bmse001174,BMET001174
"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21742,bmse001174,BMET001174
"5,7-dihydroxy-3-(4-hydroxyphenyl)chromone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21742,bmse001174,BMET001174
GENISTEIN,SYSTEMATIC NAME,na,na,21742,bmse001174,BMET001174
"(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]prolyl]amino]-5-guanidino-valeric acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21763,bmse001175,BMET001175
"(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21763,bmse001175,BMET001175
"(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid",PUBCHEM_IUPAC_NAME,na,na,21763,bmse001175,BMET001175
"(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21763,bmse001175,BMET001175
"(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21763,bmse001175,BMET001175
"(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21763,bmse001175,BMET001175
2-[[1-[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21763,bmse001175,BMET001175
"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21784,bmse001176,BMET001176
"3,5,7,3',4'-PENTAHYDROXYFLAVONE",SYSTEMATIC NAME,na,na,21784,bmse001176,BMET001176
"3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propionic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21805,bmse001177,BMET001177
"3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21805,bmse001177,BMET001177
"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21805,bmse001177,BMET001177
"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid",PUBCHEM_IUPAC_NAME,na,na,21805,bmse001177,BMET001177
"3-[8,13-bis(ethenyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21805,bmse001177,BMET001177
"(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21826,bmse001178,BMET001178
"(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21826,bmse001178,BMET001178
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",PUBCHEM_IUPAC_NAME,na,na,21826,bmse001178,BMET001178
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21826,bmse001178,BMET001178
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21826,bmse001178,BMET001178
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21826,bmse001178,BMET001178
ARACHIDONIC ACID,SYSTEMATIC NAME,na,na,21826,bmse001178,BMET001178
"(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID",SYSTEMATIC NAME,na,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",PUBCHEM_IUPAC_NAME,na,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21847,bmse001179,BMET001179
"(3R,4S,5R)-3,4,5-tris(oxidanyl)cyclohexene-1-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21847,bmse001179,BMET001179
"3,4,5-trihydroxycyclohexene-1-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21847,bmse001179,BMET001179
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol hydrate,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21868,bmse001180,BMET001180
3-Methylbutanal,SYSTEMATIC NAME,cactus.nci.nih.gov,na,21889,bmse001181,BMET001181
3-methylbutanal,PUBCHEM_IUPAC_CAS_NAME,na,na,21889,bmse001181,BMET001181
3-methylbutanal,PUBCHEM_IUPAC_NAME,na,na,21889,bmse001181,BMET001181
3-methylbutanal,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21889,bmse001181,BMET001181
3-methylbutanal,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21889,bmse001181,BMET001181
3-methylbutyraldehyde,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21889,bmse001181,BMET001181
"1-(1H-indol-3-yl)-N,N-dimethyl-methanamine",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21910,bmse001182,BMET001182
"1-(1H-indol-3-yl)-N,N-dimethyl-methanamine",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21910,bmse001182,BMET001182
"1-(1H-indol-3-yl)-N,N-dimethylmethanamine",PUBCHEM_IUPAC_CAS_NAME,na,na,21910,bmse001182,BMET001182
"1-(1H-indol-3-yl)-N,N-dimethylmethanamine",PUBCHEM_IUPAC_NAME,na,na,21910,bmse001182,BMET001182
"1-(1H-indol-3-yl)-N,N-dimethylmethanamine",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21910,bmse001182,BMET001182
1H-indol-3-ylmethyl(dimethyl)amine,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21910,bmse001182,BMET001182
"(1S,4aS,10aR)-1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21931,bmse001183,BMET001183
"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",PUBCHEM_IUPAC_CAS_NAME,na,na,21931,bmse001183,BMET001183
"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",PUBCHEM_IUPAC_NAME,na,na,21931,bmse001183,BMET001183
"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21931,bmse001183,BMET001183
"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21931,bmse001183,BMET001183
"(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21931,bmse001183,BMET001183
"6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21931,bmse001183,BMET001183
"2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_CAS_NAME,na,na,21973,bmse001185,BMET001185
"2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_NAME,na,na,21973,bmse001185,BMET001185
"2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21973,bmse001185,BMET001185
"2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21973,bmse001185,BMET001185
"2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21973,bmse001185,BMET001185
"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21973,bmse001185,BMET001185
"(5R)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,21994,bmse001186,BMET001186
"(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene",PUBCHEM_IUPAC_CAS_NAME,na,na,21994,bmse001186,BMET001186
"(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene",PUBCHEM_IUPAC_NAME,na,na,21994,bmse001186,BMET001186
"(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21994,bmse001186,BMET001186
"(5R)-5-isopropyl-2-methyl-cyclohexa-1,3-diene",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,21994,bmse001186,BMET001186
"(5R)-5-isopropyl-2-methyl-cyclohexa-1,3-diene",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,21994,bmse001186,BMET001186
"2-methyl-5-propan-2-ylcyclohexa-1,3-diene",SYSTEMATIC NAME,cactus.nci.nih.gov,na,21994,bmse001186,BMET001186
"5-hydroxy-2-methylnaphthalene-1,4-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,22015,bmse001187,BMET001187
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol,PUBCHEM_IUPAC_CAS_NAME,na,na,22036,bmse001188,BMET001188
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol,PUBCHEM_IUPAC_NAME,na,na,22036,bmse001188,BMET001188
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22036,bmse001188,BMET001188
2-(4-oxidanyl-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22036,bmse001188,BMET001188
4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22036,bmse001188,BMET001188
4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22036,bmse001188,BMET001188
2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol,PUBCHEM_IUPAC_CAS_NAME,na,na,22057,bmse001189,BMET001189
2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol,PUBCHEM_IUPAC_NAME,na,na,22057,bmse001189,BMET001189
2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22057,bmse001189,BMET001189
2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22057,bmse001189,BMET001189
4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22057,bmse001189,BMET001189
4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22057,bmse001189,BMET001189
"5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol",SYSTEMATIC NAME,na,na,22057,bmse001189,BMET001189
"2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione",SYSTEMATIC NAME,na,na,22078,bmse001190,BMET001190
5-Methylfuran-2-carbaldehyde,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22099,bmse001191,BMET001191
5-methyl-2-furancarboxaldehyde,PUBCHEM_IUPAC_CAS_NAME,na,na,22099,bmse001191,BMET001191
5-methylfuran-2-carbaldehyde,PUBCHEM_IUPAC_NAME,na,na,22099,bmse001191,BMET001191
5-methylfuran-2-carbaldehyde,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22099,bmse001191,BMET001191
5-methylfuran-2-carbaldehyde,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22099,bmse001191,BMET001191
5-methylfurfural,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22099,bmse001191,BMET001191
"2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22120,bmse001192,BMET001192
"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL",SYSTEMATIC NAME,cactus.nci.nih.gov,na,22120,bmse001192,BMET001192
"5-chloro-2-(2,4-dichlorophenoxy)phenol",PUBCHEM_IUPAC_CAS_NAME,na,na,22120,bmse001192,BMET001192
"5-chloro-2-(2,4-dichlorophenoxy)phenol",PUBCHEM_IUPAC_NAME,na,na,22120,bmse001192,BMET001192
"5-chloro-2-(2,4-dichlorophenoxy)phenol",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22120,bmse001192,BMET001192
"5-chloro-2-(2,4-dichlorophenoxy)phenol",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22120,bmse001192,BMET001192
TRICLOSAN,SYSTEMATIC NAME,na,na,22120,bmse001192,BMET001192
4-HYDROXY-BENZOIC ACID METHYL ESTER,SYSTEMATIC NAME,na,na,22162,bmse001194,BMET001194
4-hydroxybenzoic acid methyl ester,PUBCHEM_IUPAC_CAS_NAME,na,na,22162,bmse001194,BMET001194
Methyl 4-hydroxybenzoate,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22162,bmse001194,BMET001194
methyl 4-hydroxybenzoate,PUBCHEM_IUPAC_NAME,na,na,22162,bmse001194,BMET001194
methyl 4-hydroxybenzoate,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22162,bmse001194,BMET001194
methyl 4-oxidanylbenzoate,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22162,bmse001194,BMET001194
methylparaben,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22162,bmse001194,BMET001194
2-ALLYLPHENOL,SYSTEMATIC NAME,na,na,22183,bmse001195,BMET001195
2-allylphenol,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22183,bmse001195,BMET001195
2-allylphenol,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22183,bmse001195,BMET001195
2-prop-2-enylphenol,PUBCHEM_IUPAC_CAS_NAME,na,na,22183,bmse001195,BMET001195
2-prop-2-enylphenol,PUBCHEM_IUPAC_NAME,na,na,22183,bmse001195,BMET001195
2-prop-2-enylphenol,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22183,bmse001195,BMET001195
2-prop-2-enylphenol,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22183,bmse001195,BMET001195
2-(hydroxymethyl)-5-oxidanyl-pyran-4-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22204,bmse001196,BMET001196
5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE,SYSTEMATIC NAME,na,na,22204,bmse001196,BMET001196
5-hydroxy-2-(hydroxymethyl)-4-pyranone,PUBCHEM_IUPAC_CAS_NAME,na,na,22204,bmse001196,BMET001196
5-hydroxy-2-(hydroxymethyl)pyran-4-one,PUBCHEM_IUPAC_NAME,na,na,22204,bmse001196,BMET001196
5-hydroxy-2-(hydroxymethyl)pyran-4-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22204,bmse001196,BMET001196
5-hydroxy-2-(hydroxymethyl)pyran-4-one,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22204,bmse001196,BMET001196
5-hydroxy-2-methylol-pyran-4-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22204,bmse001196,BMET001196
(E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22225,bmse001197,BMET001197
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid,PUBCHEM_IUPAC_NAME,na,na,22225,bmse001197,BMET001197
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22225,bmse001197,BMET001197
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,22225,bmse001197,BMET001197
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22225,bmse001197,BMET001197
(E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22225,bmse001197,BMET001197
MYCOPHENOLIC ACID,SYSTEMATIC NAME,na,na,22225,bmse001197,BMET001197
"1,2-dihydroacenaphthylene",PUBCHEM_IUPAC_CAS_NAME,na,na,22246,bmse001198,BMET001198
"1,2-dihydroacenaphthylene",PUBCHEM_IUPAC_NAME,na,na,22246,bmse001198,BMET001198
"1,2-dihydroacenaphthylene",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22246,bmse001198,BMET001198
"1,2-dihydroacenaphthylene",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22246,bmse001198,BMET001198
Acenaphthene,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22246,bmse001198,BMET001198
acenaphthene,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22246,bmse001198,BMET001198
benzyl-dimethyl-myristyl-ammonium;chloride,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22267,bmse001199,BMET001199
benzyl-dimethyl-tetradecyl-ammonium;chloride,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22267,bmse001199,BMET001199
benzyl-dimethyl-tetradecylazanium chloride,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22267,bmse001199,BMET001199
benzyl-dimethyl-tetradecylazanium;chloride,PUBCHEM_IUPAC_NAME,na,na,22267,bmse001199,BMET001199
dimethyl-(phenylmethyl)-tetradecyl-azanium;chloride,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22267,bmse001199,BMET001199
dimethyl-(phenylmethyl)-tetradecylammonium;chloride,PUBCHEM_IUPAC_CAS_NAME,na,na,22267,bmse001199,BMET001199
2-[2-[2-[2-(Bis(carboxymethyl)amino)ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22288,bmse001200,BMET001200
2-[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22288,bmse001200,BMET001200
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_CAS_NAME,na,na,22288,bmse001200,BMET001200
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_NAME,na,na,22288,bmse001200,BMET001200
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22288,bmse001200,BMET001200
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22288,bmse001200,BMET001200
"1-hydroxy-9,10-anthraquinone",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22308,bmse001201,BMET001201
"1-hydroxyanthracene-9,10-dione",PUBCHEM_IUPAC_CAS_NAME,na,na,22308,bmse001201,BMET001201
"1-hydroxyanthracene-9,10-dione",PUBCHEM_IUPAC_NAME,na,na,22308,bmse001201,BMET001201
"1-hydroxyanthracene-9,10-dione",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22308,bmse001201,BMET001201
"1-hydroxyanthracene-9,10-dione",SYSTEMATIC NAME,cactus.nci.nih.gov,na,22308,bmse001201,BMET001201
"1-oxidanylanthracene-9,10-dione",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22308,bmse001201,BMET001201
(5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone,PUBCHEM_IUPAC_CAS_NAME,na,na,22329,bmse001202,BMET001202
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one,SYSTEMATIC NAME,na,na,22329,bmse001202,BMET001202
(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22329,bmse001202,BMET001202
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,PUBCHEM_IUPAC_NAME,na,na,22329,bmse001202,BMET001202
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22329,bmse001202,BMET001202
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22329,bmse001202,BMET001202
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one,PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22329,bmse001202,BMET001202
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,SYSTEMATIC NAME,cactus.nci.nih.gov,na,22329,bmse001202,BMET001202
"2,5-dimethyl-4-oxidanyl-furan-3-one",PUBCHEM_IUPAC_SYSTEMATIC_NAME,na,na,22350,bmse001203,BMET001203
"4-hydroxy-2,5-dimethyl-3-furanone",PUBCHEM_IUPAC_CAS_NAME,na,na,22350,bmse001203,BMET001203
"4-hydroxy-2,5-dimethyl-furan-3-one",PUBCHEM_IUPAC_OPENEYE_NAME,na,na,22350,bmse001203,BMET001203
"4-hydroxy-2,5-dimethyl-furan-3-one",PUBCHEM_IUPAC_TRADITIONAL_NAME,na,na,22350,bmse001203,BMET001203
"4-hydroxy-2,5-dimethylfuran-3-one",PUBCHEM_IUPAC_NAME,na,na,22350,bmse001203,BMET001203
"4-hydroxy-2,5-dimethylfuran-3-one",SYSTEMATIC NAME,cactus.nci.nih.gov,na,22350,bmse001203,BMET001203
"(1S,4S,6R)-6-methylbicyclo[2.2.1]hept-2-ene-6-carboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22373,bmse001204,BMET001204
(5R)-5-methyl-5-bicyclo[2.2.1]hept-2-enecarboxylic acid,CAS NAME,PUBCHEM_IUPAC,na,22373,bmse001204,BMET001204
(5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxylic acid,SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22373,bmse001204,BMET001204
32190-82-2,CAS REGISRY NUMBER,na,na,22373,bmse001204,BMET001204
92376,NSC NUMBER,na,na,22373,bmse001204,BMET001204
(2R)-2-aminopentanoic acid,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22397,bmse001205,BMET001205
(2R)-2-aminopentanoic acid,OPENEYE NAME,PUBCHEM_IUPAC,na,22397,bmse001205,BMET001205
(2R)-2-aminovaleric acid,TRADITIONAL NAME,PUBCHEM_IUPAC,na,22397,bmse001205,BMET001205
(2R)-2-azanylpentanoic acid,SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22397,bmse001205,BMET001205
760-78-1,CAS REGISRY NUMBER,na,na,22397,bmse001205,BMET001205
4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone,CAS NAME,PUBCHEM_IUPAC,na,22421,bmse001206,BMET001206
4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one,OPENEYE NAME,PUBCHEM_IUPAC,na,22421,bmse001206,BMET001206
4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(4-fluorophenyl)butan-1-one,TRADITIONAL NAME,PUBCHEM_IUPAC,na,22421,bmse001206,BMET001206
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22421,bmse001206,BMET001206
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,NAME,PUBCHEM_IUPAC,na,22421,bmse001206,BMET001206
4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22421,bmse001206,BMET001206
52-86-8,CAS REGISRY NUMBER,na,na,22421,bmse001206,BMET001206
757054,NSC NUMBER,na,na,22421,bmse001206,BMET001206
1453-82-3,CAS REGISRY NUMBER,na,na,22445,bmse001207,BMET001207
4-pyridinecarboxamide,CAS NAME,PUBCHEM_IUPAC,na,22445,bmse001207,BMET001207
82353,NSC NUMBER,na,na,22445,bmse001207,BMET001207
isonicotinamide,TRADITIONAL NAME,PUBCHEM_IUPAC,na,22445,bmse001207,BMET001207
pyridine-4-carboxamide,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22445,bmse001207,BMET001207
pyridine-4-carboxamide,SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22445,bmse001207,BMET001207
"7-methyl-3-methylideneocta-1,6-diene",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22469,bmse001208,BMET001208
33791,NSC NUMBER,na,na,22493,bmse001209,BMET001209
"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22493,bmse001209,BMET001209
"4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol",OPENEYE NAME,PUBCHEM_IUPAC,na,22493,bmse001209,BMET001209
4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol,TRADITIONAL NAME,PUBCHEM_IUPAC,na,22493,bmse001209,BMET001209
"4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",NAME,PUBCHEM_IUPAC,na,22493,bmse001209,BMET001209
"4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22493,bmse001209,BMET001209
7683-59-2,CAS REGISRY NUMBER,na,na,22493,bmse001209,BMET001209
"4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-N,N-dimethyl-2,2-diphenylbutanamide",CAS NAME,PUBCHEM_IUPAC,na,22517,bmse001210,BMET001210
"4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-N,N-dimethyl-2,2-diphenyl-butanamide",OPENEYE NAME,PUBCHEM_IUPAC,na,22517,bmse001210,BMET001210
"4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-N,N-dimethyl-2,2-diphenyl-butyramide",TRADITIONAL NAME,PUBCHEM_IUPAC,na,22517,bmse001210,BMET001210
"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22517,bmse001210,BMET001210
"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",NAME,PUBCHEM_IUPAC,na,22517,bmse001210,BMET001210
"4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butanamide",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22517,bmse001210,BMET001210
53179-11-6,CAS REGISRY NUMBER,na,na,22517,bmse001210,BMET001210
"(1R)-1-(3,4-dichlorophenyl)-2-(isopropylamino)ethanol",OPENEYE NAME,PUBCHEM_IUPAC,na,22541,bmse001211,BMET001211
"(1R)-1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22541,bmse001211,BMET001211
"(1R)-1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,22541,bmse001211,BMET001211
20879-16-7,CAS REGISRY NUMBER,na,na,22541,bmse001211,BMET001211
10139-01-2,CAS REGISRY NUMBER,na,na,22565,bmse001212,BMET001212
401005,NSC NUMBER,na,na,22589,bmse001213,BMET001213
407306,NSC NUMBER,na,na,22613,bmse001214,BMET001214
549-84-8,CAS REGISRY NUMBER,na,na,22613,bmse001214,BMET001214
93133,NSC NUMBER,na,na,22613,bmse001214,BMET001214
361902,NSC NUMBER,na,na,22637,bmse001215,BMET001215
22842,NSC NUMBER,na,na,22661,bmse001216,BMET001216
"3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22661,bmse001216,BMET001216
479-13-0,CAS REGISRY NUMBER,na,na,22661,bmse001216,BMET001216
325014,NSC NUMBER,na,na,22685,bmse001217,BMET001217
72615-20-4,CAS REGISRY NUMBER,na,na,22685,bmse001217,BMET001217
307981,NSC NUMBER,na,na,22709,bmse001218,BMET001218
5490-47-1,CAS REGISRY NUMBER,na,na,22709,bmse001218,BMET001218
22070,NSC NUMBER,na,na,22733,bmse001219,BMET001219
28272-18-6,CAS REGISRY NUMBER,na,na,22733,bmse001219,BMET001219
15624,NSC NUMBER,na,na,22757,bmse001220,BMET001220
5096-87-7,CAS REGISRY NUMBER,na,na,22757,bmse001220,BMET001220
"(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-naphtho[7,8-b]furan",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22781,bmse001221,BMET001221
6790-58-5,CAS REGISRY NUMBER,na,na,22781,bmse001221,BMET001221
"(1S,6S,7S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22805,bmse001222,BMET001222
117894-10-7,CAS REGISRY NUMBER,na,na,22805,bmse001222,BMET001222
614552,NSC NUMBER,na,na,22805,bmse001222,BMET001222
1464-33-1,CAS REGISRY NUMBER,na,na,22853,bmse001224,BMET001224
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22853,bmse001224,BMET001224
300-08-3,CAS REGISRY NUMBER,na,na,22876,bmse001225,BMET001225
757418,NSC NUMBER,na,na,22876,bmse001225,BMET001225
"methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22876,bmse001225,BMET001225
"(1R,4R,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22900,bmse001226,BMET001226
10334-13-1,CAS REGISRY NUMBER,na,na,22900,bmse001226,BMET001226
"(6S)-4-methoxy-6-[(E)-2-phenylethenyl]-5,6-dihydropyran-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22924,bmse001227,BMET001227
3155-48-4,CAS REGISRY NUMBER,na,na,22924,bmse001227,BMET001227
"(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22972,bmse001229,BMET001229
118012,NSC NUMBER,na,na,22972,bmse001229,BMET001229
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,22996,bmse001230,BMET001230
464-49-3,CAS REGISRY NUMBER,na,na,22996,bmse001230,BMET001230
485-72-3,CAS REGISRY NUMBER,na,na,23020,bmse001231,BMET001231
93360,NSC NUMBER,na,na,23020,bmse001231,BMET001231
298-81-7,CAS REGISRY NUMBER,na,na,23044,bmse001232,BMET001232
45923,NSC NUMBER,na,na,23044,bmse001232,BMET001232
"9-methoxyfuro[3,2-g]chromen-7-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23044,bmse001232,BMET001232
"(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-naphtho[7,8-d]furan-2,8-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23068,bmse001233,BMET001233
5096-57-1,CAS REGISRY NUMBER,na,na,23092,bmse001234,BMET001234
"(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23116,bmse001235,BMET001235
21727,NSC NUMBER,na,na,23116,bmse001235,BMET001235
"5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23116,bmse001235,BMET001235
94-62-2,CAS REGISRY NUMBER,na,na,23116,bmse001235,BMET001235
4-[(E)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23140,bmse001236,BMET001236
4-[1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23140,bmse001236,BMET001236
68392-35-8,CAS REGISRY NUMBER,na,na,23140,bmse001236,BMET001236
"1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23164,bmse001237,BMET001237
389-08-2,CAS REGISRY NUMBER,na,na,23164,bmse001237,BMET001237
82174,NSC NUMBER,na,na,23164,bmse001237,BMET001237
"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23188,bmse001238,BMET001238
21293-29-8,CAS REGISRY NUMBER,na,na,23188,bmse001238,BMET001238
4-(2-Dimethylaminoethyl)phenol,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23212,bmse001239,BMET001239
539-15-1,CAS REGISRY NUMBER,na,na,23212,bmse001239,BMET001239
"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23236,bmse001240,BMET001240
136630,NSC NUMBER,na,na,23236,bmse001240,BMET001240
61-25-6,CAS REGISRY NUMBER,na,na,23236,bmse001240,BMET001240
"2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23284,bmse001242,BMET001242
23288-49-5,CAS REGISRY NUMBER,na,na,23284,bmse001242,BMET001242
757837,NSC NUMBER,na,na,23284,bmse001242,BMET001242
83-79-4,CAS REGISRY NUMBER,na,na,23308,bmse001243,BMET001243
8505,NSC NUMBER,na,na,23308,bmse001243,BMET001243
1744-22-5,CAS REGISRY NUMBER,na,na,23332,bmse001244,BMET001244
759823,NSC NUMBER,na,na,23332,bmse001244,BMET001244
3979,NSC NUMBER,na,na,23356,bmse001245,BMET001245
"4-oxopyran-2,6-dicarboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23356,bmse001245,BMET001245
99-32-1,CAS REGISRY NUMBER,na,na,23356,bmse001245,BMET001245
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23380,bmse001246,BMET001246
488-10-8,CAS REGISRY NUMBER,na,na,23380,bmse001246,BMET001246
512-04-9,CAS REGISRY NUMBER,na,na,23404,bmse001247,BMET001247
476-70-0,CAS REGISRY NUMBER,na,na,23428,bmse001248,BMET001248
63968-64-9,CAS REGISRY NUMBER,na,na,23452,bmse001249,BMET001249
758216,NSC NUMBER,na,na,23452,bmse001249,BMET001249
32979,NSC NUMBER,na,na,23476,bmse001250,BMET001250
475-67-2,CAS REGISRY NUMBER,na,na,23476,bmse001250,BMET001250
"(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23500,bmse001251,BMET001251
121869,NSC NUMBER,na,na,23500,bmse001251,BMET001251
128-62-1,CAS REGISRY NUMBER,na,na,23500,bmse001251,BMET001251
"(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23524,bmse001252,BMET001252
87-44-5,CAS REGISRY NUMBER,na,na,23524,bmse001252,BMET001252
"1,4-dimethyl-7-propan-2-ylazulene",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23548,bmse001253,BMET001253
4714,NSC NUMBER,na,na,23548,bmse001253,BMET001253
489-84-9,CAS REGISRY NUMBER,na,na,23548,bmse001253,BMET001253
"(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23572,bmse001254,BMET001254
"(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23572,bmse001254,BMET001254
1119-38-6,CAS REGISRY NUMBER,na,na,23572,bmse001254,BMET001254
"(2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23596,bmse001255,BMET001255
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23620,bmse001256,BMET001256
89-82-7,CAS REGISRY NUMBER,na,na,23620,bmse001256,BMET001256
"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23644,bmse001257,BMET001257
520-34-3,CAS REGISRY NUMBER,na,na,23644,bmse001257,BMET001257
5133-19-7,CAS REGISRY NUMBER,na,na,23668,bmse001258,BMET001258
"1,8-dihydroxy-3-methylanthracene-9,10-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23692,bmse001259,BMET001259
481-74-3,CAS REGISRY NUMBER,na,na,23692,bmse001259,BMET001259
646567,NSC NUMBER,na,na,23692,bmse001259,BMET001259
17241-59-7,CAS REGISRY NUMBER,na,na,23716,bmse001260,BMET001260
"2-(hydroxymethyl)anthracene-9,10-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23716,bmse001260,BMET001260
10088-95-6,CAS REGISRY NUMBER,na,na,24316,bmse001285,BMET001285
"(2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23740,bmse001261,BMET001261
"(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23740,bmse001261,BMET001261
6537-80-0,CAS REGISRY NUMBER,na,na,23740,bmse001261,BMET001261
1-methoxy-4-prop-2-enylbenzene,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23764,bmse001262,BMET001262
140-67-0,CAS REGISRY NUMBER,na,na,23764,bmse001262,BMET001262
404113,NSC NUMBER,na,na,23764,bmse001262,BMET001262
"1,2-dimethoxy-4-prop-2-enylbenzene",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23788,bmse001263,BMET001263
209528,NSC NUMBER,na,na,23788,bmse001263,BMET001263
93-15-2,CAS REGISRY NUMBER,na,na,23788,bmse001263,BMET001263
"4-methoxy-6-prop-2-enyl-1,3-benzodioxole",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23812,bmse001264,BMET001264
607-91-0,CAS REGISRY NUMBER,na,na,23812,bmse001264,BMET001264
11831,NSC NUMBER,na,na,23836,bmse001265,BMET001265
"5-prop-2-enyl-1,3-benzodioxole",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23836,bmse001265,BMET001265
94-59-7,CAS REGISRY NUMBER,na,na,23836,bmse001265,BMET001265
"(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23860,bmse001266,BMET001266
"1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23860,bmse001266,BMET001266
56346,NSC NUMBER,na,na,23860,bmse001266,BMET001266
82-08-6,CAS REGISRY NUMBER,na,na,23860,bmse001266,BMET001266
"1,3-Benzodioxol-5-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23884,bmse001267,BMET001267
533-31-3,CAS REGISRY NUMBER,na,na,23884,bmse001267,BMET001267
59256,NSC NUMBER,na,na,23884,bmse001267,BMET001267
"(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23908,bmse001268,BMET001268
498-15-7,CAS REGISRY NUMBER,na,na,23908,bmse001268,BMET001268
"(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23932,bmse001269,BMET001269
"4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,23932,bmse001269,BMET001269
8013-90-9,CAS REGISRY NUMBER,na,na,23932,bmse001269,BMET001269
42971-09-5,CAS REGISRY NUMBER,na,na,23956,bmse001270,BMET001270
760093,NSC NUMBER,na,na,23956,bmse001270,BMET001270
6620-60-6,CAS REGISRY NUMBER,na,na,23980,bmse001271,BMET001271
757841,NSC NUMBER,na,na,23980,bmse001271,BMET001271
"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24004,bmse001272,BMET001272
407290,NSC NUMBER,na,na,24004,bmse001272,BMET001272
529-44-2,CAS REGISRY NUMBER,na,na,24004,bmse001272,BMET001272
633782,NSC NUMBER,na,na,24028,bmse001273,BMET001273
79902-63-9,CAS REGISRY NUMBER,na,na,24028,bmse001273,BMET001273
"[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24028,bmse001273,BMET001273
"3,5,5-trimethylcyclohex-2-en-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24052,bmse001274,BMET001274
403657,NSC NUMBER,na,na,24052,bmse001274,BMET001274
78-59-1,CAS REGISRY NUMBER,na,na,24052,bmse001274,BMET001274
12001-79-5,CAS REGISRY NUMBER,na,na,24076,bmse001275,BMET001275
"2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24076,bmse001275,BMET001275
270681,NSC NUMBER,na,na,24076,bmse001275,BMET001275
"2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24100,bmse001276,BMET001276
491-70-3,CAS REGISRY NUMBER,na,na,24100,bmse001276,BMET001276
"(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24148,bmse001278,BMET001278
32192,NSC NUMBER,na,na,24148,bmse001278,BMET001278
485-49-4,CAS REGISRY NUMBER,na,na,24148,bmse001278,BMET001278
22810-67-9,CAS REGISRY NUMBER,na,na,24172,bmse001279,BMET001279
22939,NSC NUMBER,na,na,24172,bmse001279,BMET001279
"(9R,10R)-9,10,16-trihydroxyhexadecanoic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24196,bmse001280,BMET001280
25150,NSC NUMBER,na,na,24196,bmse001280,BMET001280
533-87-9,CAS REGISRY NUMBER,na,na,24196,bmse001280,BMET001280
7668,NSC NUMBER,na,na,24196,bmse001280,BMET001280
"(3R)-6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24220,bmse001281,BMET001281
5366,NSC NUMBER,na,na,24220,bmse001281,BMET001281
(7-acetyloxy-2-oxochromen-8-yl) acetate,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24244,bmse001282,BMET001282
21784-71-4,CAS REGISRY NUMBER,na,na,24244,bmse001282,BMET001282
301683,NSC NUMBER,na,na,24244,bmse001282,BMET001282
129536,NSC NUMBER,na,na,24268,bmse001283,BMET001283
21416-53-5,CAS REGISRY NUMBER,na,na,24268,bmse001283,BMET001283
"3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[6,5-h]chromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24292,bmse001284,BMET001284
5113,NSC NUMBER,na,na,24292,bmse001284,BMET001284
572-03-2,CAS REGISRY NUMBER,na,na,24292,bmse001284,BMET001284
"(2S,3S)-3-hydroxy-2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24316,bmse001285,BMET001285
"(2S,3S)-3-hydroxy-2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24316,bmse001285,BMET001285
118343,NSC NUMBER,na,na,24316,bmse001285,BMET001285
"(3S,4R,4aS,8aS)-4-(2-furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24340,bmse001286,BMET001286
18676-07-8,CAS REGISRY NUMBER,na,na,24340,bmse001286,BMET001286
332876,NSC NUMBER,na,na,24340,bmse001286,BMET001286
"(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24364,bmse001287,BMET001287
1740-19-8,CAS REGISRY NUMBER,na,na,24364,bmse001287,BMET001287
2952,NSC NUMBER,na,na,24364,bmse001287,BMET001287
284437,NSC NUMBER,na,na,24388,bmse001288,BMET001288
87480-01-1,CAS REGISRY NUMBER,na,na,24388,bmse001288,BMET001288
"(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24412,bmse001289,BMET001289
108102-51-8,CAS REGISRY NUMBER,na,na,24412,bmse001289,BMET001289
9665,NSC NUMBER,na,na,24412,bmse001289,BMET001289
"(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24436,bmse001290,BMET001290
32383-76-9,CAS REGISRY NUMBER,na,na,24436,bmse001290,BMET001290
350085,NSC NUMBER,na,na,24436,bmse001290,BMET001290
"(4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate",OPENEYE NAME,PUBCHEM_IUPAC,na,24460,bmse001291,BMET001291
176503,NSC NUMBER,na,na,24460,bmse001291,BMET001291
"3-methyl-2-butenoic acid (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) ester",CAS NAME,PUBCHEM_IUPAC,na,24460,bmse001291,BMET001291
"3-methylbut-2-enoic acid (4-hydroxy-2,8-diketo-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) ester",TRADITIONAL NAME,PUBCHEM_IUPAC,na,24460,bmse001291,BMET001291
94035,NSC NUMBER,na,na,24460,bmse001291,BMET001291
"[1,5,8a-trimethyl-4-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,24460,bmse001291,BMET001291
375294,NSC NUMBER,na,na,24484,bmse001292,BMET001292
"3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24508,bmse001293,BMET001293
637086,NSC NUMBER,na,na,24508,bmse001293,BMET001293
6493-05-6,CAS REGISRY NUMBER,na,na,24508,bmse001293,BMET001293
758481,NSC NUMBER,na,na,24508,bmse001293,BMET001293
157035,NSC NUMBER,na,na,24532,bmse001294,BMET001294
20554-84-1,CAS REGISRY NUMBER,na,na,24532,bmse001294,BMET001294
3-(4-Hydroxyphenyl)propanoic acid,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24556,bmse001295,BMET001295
501-97-3,CAS REGISRY NUMBER,na,na,24556,bmse001295,BMET001295
65596,NSC NUMBER,na,na,24556,bmse001295,BMET001295
"1,3,8-trihydroxy-6-methylanthracene-9,10-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24604,bmse001297,BMET001297
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24628,bmse001298,BMET001298
"(3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[7,8-d]furan-2,9-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24652,bmse001299,BMET001299
85239,NSC NUMBER,na,na,24652,bmse001299,BMET001299
29854,NSC NUMBER,na,na,24676,bmse001300,BMET001300
"6,18-dimethoxy-17-[1-oxo-3-(3,4,5-trimethoxyphenyl)propoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester",CAS NAME,PUBCHEM_IUPAC,na,24676,bmse001300,BMET001300
"6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester",TRADITIONAL NAME,PUBCHEM_IUPAC,na,24676,bmse001300,BMET001300
"methyl 6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,24676,bmse001300,BMET001300
"3,9-dihydroxy-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepin-6-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24700,bmse001301,BMET001301
31867,NSC NUMBER,na,na,24700,bmse001301,BMET001301
36398,NSC NUMBER,na,na,24724,bmse001302,BMET001302
72116,NSC NUMBER,na,na,24748,bmse001303,BMET001303
"2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24772,bmse001304,BMET001304
26326,NSC NUMBER,na,na,24772,bmse001304,BMET001304
23969,NSC NUMBER,na,na,24796,bmse001305,BMET001305
"4-[(E)-2-(1,6-dimethyl-2-piperidinyl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one",CAS NAME,PUBCHEM_IUPAC,na,24796,bmse001305,BMET001305
"4-[(E)-2-(1,6-dimethyl-2-piperidyl)vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benz[f]isobenzofuran-1-one",TRADITIONAL NAME,PUBCHEM_IUPAC,na,24796,bmse001305,BMET001305
"4-[(E)-2-(1,6-dimethyl-2-piperidyl)vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one",OPENEYE NAME,PUBCHEM_IUPAC,na,24796,bmse001305,BMET001305
"4-[(E)-2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,24796,bmse001305,BMET001305
"(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24844,bmse001307,BMET001307
"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24868,bmse001308,BMET001308
31048,NSC NUMBER,na,na,24868,bmse001308,BMET001308
"(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24892,bmse001309,BMET001309
87511,NSC NUMBER,na,na,24916,bmse001310,BMET001310
114344,NSC NUMBER,na,na,24940,bmse001311,BMET001311
349438,NSC NUMBER,na,na,25651,bmse001338,BMET001338
45383,NSC NUMBER,na,na,25675,bmse001339,BMET001339
"(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,24988,bmse001313,BMET001313
"methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25012,bmse001314,BMET001314
"4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25036,bmse001315,BMET001315
"4-[(3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25036,bmse001315,BMET001315
"(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25060,bmse001316,BMET001316
"1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25060,bmse001316,BMET001316
"(3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25084,bmse001317,BMET001317
"(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25108,bmse001318,BMET001318
"(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25132,bmse001319,BMET001319
"3,5,7-trihydroxy-2-phenylchromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25156,bmse001320,BMET001320
"4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25180,bmse001321,BMET001321
"4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25180,bmse001321,BMET001321
"1,2,4-trihydroxyanthracene-9,10-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25204,bmse001322,BMET001322
1-(2-Hydroxy-4-methoxyphenyl)ethanone,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25228,bmse001323,BMET001323
"(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25276,bmse001325,BMET001325
"(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25300,bmse001326,BMET001326
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NAME,PUBCHEM_IUPAC,na,25366,bmse001328,BMET001328
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide",OPENEYE NAME,PUBCHEM_IUPAC,na,25366,bmse001328,BMET001328
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-methylol-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide",TRADITIONAL NAME,PUBCHEM_IUPAC,na,25366,bmse001328,BMET001328
"N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4-oxanyl]oxy]-4-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide",CAS NAME,PUBCHEM_IUPAC,na,25366,bmse001328,BMET001328
"N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl]ethanamide",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,25366,bmse001328,BMET001328
"sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate",SYSTEMATIC NAME,PUBCHEM_IUPAC,na,25399,bmse001329,BMET001329
"sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate",NAME,PUBCHEM_IUPAC,na,25399,bmse001329,BMET001329
"sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-keto-butoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate",TRADITIONAL NAME,PUBCHEM_IUPAC,na,25399,bmse001329,BMET001329
"sodium;(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate",OPENEYE NAME,PUBCHEM_IUPAC,na,25399,bmse001329,BMET001329
"sodium;(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate",CAS NAME,PUBCHEM_IUPAC,na,25399,bmse001329,BMET001329
"1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25531,bmse001333,BMET001333
"[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25579,bmse001335,BMET001335
"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25603,bmse001336,BMET001336
"(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25627,bmse001337,BMET001337
(4R)-1-furan-3-yl-4-hydroxypentan-1-one,IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25651,bmse001338,BMET001338
"5,11-Dimethyl-6H-pyrido[4,3-b]carbazole",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25699,bmse001340,BMET001340
71795,NSC NUMBER,na,na,25699,bmse001340,BMET001340
757,NSC NUMBER,na,na,25723,bmse001341,BMET001341
"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25747,bmse001342,BMET001342
82151,NSC NUMBER,na,na,25747,bmse001342,BMET001342
"(1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",IUPAC NAME,http://cactus.nci.nih.gov/chemical/structure,na,25771,bmse001343,BMET001343