5994 -OEChem-04150811192D 53 56 0 1 0 0 0 0 0999 V2000 7.9821 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.5493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.9507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.9575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9019 1.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7563 1.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 2.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5006 2.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 6 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 1 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 6 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 1 0 0 0 8 13 1 0 0 0 0 8 19 1 1 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 21 2 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END > 1 > 5994 > 1 > 589 > 2 > 0 > 1 > AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAyYIAAAAAAAGDIAAAAGgAAAAAADwSAgAACAAAAAACIAqBSAAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAQMIiMCPgAAAAAAAAACAAAQAACAAAQAACAAAAA== > (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 > 3.5 > 314.22458 > C21H30O2 > 314.4617 > CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C > CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C > 34.1 > 314.22458 > 0 > 23 > 6 > 0 > 0 > 0 > 0 > 1 > 15 > 3700 > 5 > KEGG > C00410 > CAS: 57-83-0 ChEBI: 17026 CCD: STR Same as: D00066 Is a reactant or product of enzyme EC 1.1.1.145 Is a reactant or product of enzyme EC 1.1.1.149 Is a reactant or product of enzyme EC 1.3.1.3 Is a reactant or product of enzyme EC 1.3.1.30 Is a reactant or product of enzyme EC 1.3.99.6 Is a reactant or product of enzyme EC 1.14.13.54 Is a reactant or product of enzyme EC 1.14.15.4 Is a reactant or product of enzyme EC 1.14.99.4 Is a reactant or product of enzyme EC 1.14.99.9 Is a reactant or product of enzyme EC 1.14.99.10 Is a reactant or product of enzyme EC 1.14.99.14 Is a reactant or product of enzyme EC 5.3.3.1 > 4-Pregnene-3,20-dione 57-83-0 C00410 Progesterone > 57-83-0 > C00410 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C00410 > 5994 1 > 3 24 6 4 15 5 5 25 5 6 26 6 7 18 5 8 19 5 $$$$