6238 -OEChem-04150811092D 54 57 0 1 0 0 0 0 0999 V2000 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4777 -1.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -1.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 0.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 1.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6281 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 0.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 48 1 0 0 0 0 2 20 2 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 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 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 1 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 6 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 1 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 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 17 1 0 0 0 0 16 22 2 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END > 1 > 6238 > 1 > 635 > 3 > 1 > 1 > AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAyYIAAAAAAAGDIAAAAGgAACAAAD0SAgAACAAAAAgCIAqBSAAIAAAAgAAAACAFAAEgAABIAAQAAQAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one > InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 > 3 > 330.219495 > C21H30O3 > 330.4611 > CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O > CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O > 54.4 > 330.219495 > 0 > 24 > 6 > 0 > 0 > 0 > 0 > 1 > 10 > 4403 > 5 > KEGG > C01176 > CAS: 68-96-2 ChEBI: 17252 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 1.14.15.4 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 4.1.2.30 Is a reactant or product of enzyme EC 5.3.3.1 > 17alpha-Hydroxy-4-pregnene-3,20-dione 17alpha-Hydroxy-progesterone 17alpha-Hydroxyprogesterone 68-96-2 C01176 Pregn-4-ene-3,20-dione-17-ol > 68-96-2 > C01176 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C01176 > 6238 1 > 8 1 6 4 15 5 5 25 6 6 26 5 7 27 6 9 19 5 $$$$