 | | BS1 | | Name: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | | Formula: | C24 H30 N O | | SMILES: | O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C | | InChi: | InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21- | | Definition date: | 2009-01-16 | | Last modified: | 2011-06-04 | | Identifier: | (3-exo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane |
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 | | BS2 | | Name: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | | Formula: | C29 H32 N O | | SMILES: | O(C3c1ccccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(CC5)C6 | | InChi: | InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/p+1/t24-,25+,26+ | | Definition date: | 2009-01-16 | | Last modified: | 2011-06-04 | | Identifier: | (3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane |
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 | | BTY | | Name: | 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one | | Formula: | C6 H7 N5 O | | SMILES: | O=C1N=C(n2nc(cc2N1)C)N | | InChi: | InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12) | | Definition date: | 2007-09-12 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one |
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 | | BUL | | Name: | BULGECIN A | | Formula: | C16 H29 N3 O14 S2 | | SMILES: | O=S(=O)(O)CCNC(=O)C2NC(C(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C2)CO | | InChi: | InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[(4S,5R)-4-{[2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranosyl]oxy}-5-(hydroxymethyl)-L-prolyl]amino}ethanesulfonic acid |
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 | | BYC | | Name: | benzoyl coenzyme A | | Formula: | C28 H40 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccccc4 | | InChi: | InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 | | Definition date: | 2010-11-17 | | Last modified: | 2011-06-04 | | Identifier: | S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} benzenecarbothioate (non-preferred name) |
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 | | BZA | | Name: | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL | | Formula: | C18 H16 O3 | | SMILES: | OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O | | InChi: | InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S,4S)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol |
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 | | BZR | | Name: | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL | | Formula: | C18 H16 O3 | | SMILES: | OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O | | InChi: | InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m1/s1 | | Definition date: | 2000-11-20 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4R)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol |
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 | | 1P5 | | Name: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide | | Formula: | C20 H26 N8 O | | SMILES: | O=C(N(CC)CC)C4CCCN(c3ncnc(c1c2ncccn2nc1N)c3)C4 | | InChi: | InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)/t14-/m0/s1 | | Definition date: | 2009-08-17 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide |
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 | | 1P6 | | Name: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine | | Formula: | C18 H16 F N7 | | SMILES: | Fc1ccc(cc1)C(Nc4ncnc(c2c3ncccn3nc2N)c4)C | | InChi: | InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m0/s1 | | Definition date: | 2009-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine |
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 | | C6B | | Name: | [(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1 | | Definition date: | 2008-11-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)pyrimidin-2(1H)-one |
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 | | CA4 | | Name: | CYPROTERONE ACETATE | | Formula: | C24 H29 Cl O4 | | SMILES: | O=C4C=C3C(Cl)=CC1C(CCC2(C(OC(=O)C)(C(=O)C)CCC12)C)C3(C)C5CC45 | | InChi: | InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | | Definition date: | 2007-03-21 | | Last modified: | 2011-06-04 | | Identifier: | (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate |
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 | | CAA | | Name: | ACETOACETYL-COENZYME A | | Formula: | C25 H40 N7 O18 P3 S | | SMILES: | O=C(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name) |
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 | | CAI | | Name: | CARBOMYCIN A | | Formula: | C42 H67 N O16 | | SMILES: | O=C(OC1C(O)(C)CC(OC1C)OC4C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C)CC3OC3C=CC(=O)C(C)CC2CC=O)C(O)C4N(C)C)C)CC(C)C | | InChi: | InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 | | Definition date: | 2001-10-31 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name) |
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 | | CAO | | Name: | OXIDIZED COENZYME A | | Formula: | C21 H36 N7 O17 P3 S | | SMILES: | O=C(NCCSO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C21H36N7O17P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-40)8-42-48(38,39)45-47(36,37)41-7-11-15(44-46(33,34)35)14(30)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,40H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfenic acid 3,5-dioxide (non-preferred name) |
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 | | CC7 | | Name: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one | | Formula: | C9 H12 N3 O7 P | | SMILES: | O=C1N=C(N)C=CN1C3OC2COP(=O)(OC2C3O)O | | InChi: | InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2008-10-20 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one |
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 | | CDH | | Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | | Formula: | C14 H23 N3 O6 S | | SMILES: | O=C(NC(C(=C)C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8?,9?,11-/m1/s1 | | Definition date: | 2004-03-17 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxolysine |
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 | | CE0 | | Name: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C17 H26 N6 O8 S2 | | SMILES: | O=C(O)C(N)COC(=O)C(NC(=O)C(NOC)C1N=C(SC1)N)C2SCC(=C(N2)C(=O)O)C | | InChi: | InChI=1S/C17H26N6O8S2/c1-6-4-32-13(22-9(6)15(27)28)11(16(29)31-3-7(18)14(25)26)21-12(24)10(23-30-2)8-5-33-17(19)20-8/h7-8,10-11,13,22-23H,3-5,18H2,1-2H3,(H2,19,20)(H,21,24)(H,25,26)(H,27,28)/t7-,8+,10+,11-,13+/m0/s1 | | Definition date: | 2008-03-27 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-[(4S)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | CEE | | Name: | (2-chloroethyl)benzene | | Formula: | C8 H9 Cl | | SMILES: | ClCCc1ccccc1 | | InChi: | InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 | | Definition date: | 2009-02-16 | | Last modified: | 2011-06-04 | | Identifier: | (2-chloroethyl)benzene |
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 | | CEW | | Name: | (2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C14 H19 N5 O5 S2 | | SMILES: | O=CC(NC(=O)C(=NOC)C1=CSC(N)N1)C2SCC(=C(N2)C(=O)O)C | | InChi: | InChI=1S/C14H19N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12,14,17-18H,4,15H2,1-2H3,(H,16,21)(H,22,23)/b19-10+/t7-,12-,14?/m1/s1 | | Definition date: | 2009-06-17 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-[(1R)-1-{[(2E)-2-[(2R)-2-amino-2,3-dihydro-1,3-thiazol-4-yl]-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | CF2 | | Name: | 2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine | | Formula: | C25 H26 N10 O7 | | SMILES: | O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CCNC(=O)OCC6OC(n5cnc4c5N=C(N)NC4=O)CC6O)C)C | | InChi: | InChI=1S/C25H26N10O7/c1-10-5-12-13(6-11(10)2)34(20-18(29-12)22(38)33-24(39)31-20)4-3-27-25(40)41-8-15-14(36)7-16(42-15)35-9-28-17-19(35)30-23(26)32-21(17)37/h5-6,9,14-16,36H,3-4,7-8H2,1-2H3,(H,27,40)(H,33,38,39)(H3,26,30,32,37)/t14-,15+,16+/m0/s1 | | Definition date: | 2007-12-19 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine |
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 | | CFZ | | Name: | 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H13 F N3 O7 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O | | InChi: | InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2010-04-13 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) |
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 | | CG1 | | Name: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine | | Formula: | C11 H16 N5 O8 P | | SMILES: | O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2008-03-26 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine |
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 | | CHC | | Name: | 6-ETHYL-CHENODEOXYCHOLIC ACID | | Formula: | C26 H44 O4 | | SMILES: | O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1 | | Definition date: | 2003-04-18 | | Last modified: | 2011-06-04 | | Identifier: | (3beta,5beta,6alpha,7beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
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 | | CHD | | Name: | CHOLIC ACID | | Formula: | C24 H40 O5 | | SMILES: | O=C(O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 | | Definition date: | 2000-02-08 | | Last modified: | 2011-06-04 | | Identifier: | (3alpha,5beta,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxycholan-24-oic acid |
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 | | CI2 | | Name: | (5BETA)-PREGNANE-3,20-DIONE | | Formula: | C21 H32 O2 | | SMILES: | O=C(C)C2C1(CCC4C(C1CC2)CCC3CC(=O)CCC34C)C | | InChi: | InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1 | | Definition date: | 2004-11-16 | | Last modified: | 2011-06-04 | | Identifier: | (5alpha,8alpha,10alpha,14beta,17alpha)-pregnane-3,20-dione |
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