439263 -OEChem-05050814492D 31 31 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 6 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END > 1 > 439263 > 1 > 120 > 1 > 1 > 1 > AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAIAABAAAAAAAAAAAA== > (1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol > (1S,2S,5R)-2-isopropyl-5-methyl-1-cyclohexanol > (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol > (1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol > (1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol > InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 > 3.2 > 156.151415 > C10H20O > 156.2652 > CC1CCC(C(C1)O)C(C)C > C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C > 20.2 > 156.151415 > 0 > 11 > 3 > 0 > 0 > 0 > 0 > 1 > 1 > 3834 > 4 > KEGG > C00553 > CAS: 15356-60-2 ChEBI: 15402 Is a reactant or product of enzyme EC 1.1.1.208 > (+)-Neomenthol 15356-60-2 C00553 > 15356-60-2 > C00553 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C00553 > 439263 1 > 3 1 6 2 8 6 5 9 5 $$$$