 | | URX | | Name: | [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate | | Formula: | C12 H17 N2 O8 P | | SMILES: | O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O | | InChi: | InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8-,9+,10-,12-/m1/s1 | | Definition date: | 2010-10-11 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
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 | | USM | | Name: | 2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate) | | Formula: | C10 H15 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2SC)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O8PS/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2008-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate) |
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 | | UVX | | Name: | [(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate | | Formula: | C12 H15 N2 O8 P | | SMILES: | O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(=C)C2)C3O | | InChi: | InChI=1S/C12H15N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,8-10,16H,1,4-5H2,(H,13,15,17)(H2,18,19,20)/t8-,9+,10-,12-/m1/s1 | | Definition date: | 2010-10-11 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
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 | | UZ9 | | Name: | (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID | | Formula: | C30 H50 N2 O4 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C | | InChi: | InChI=1S/C30H50N2O4/c1-19(7-12-27(34)32-17-5-4-6-26(31)28(35)36)23-10-11-24-22-9-8-20-18-21(33)13-15-29(20,2)25(22)14-16-30(23,24)3/h19-20,22-26H,4-18,31H2,1-3H3,(H,32,34)(H,35,36)/t19-,20-,22+,23-,24+,25+,26+,29+,30-/m1/s1 | | Definition date: | 2004-03-08 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(5beta,14beta,17alpha)-3,24-dioxocholan-24-yl]-L-lysine |
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 | | VGB | | Name: | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium | | Formula: | C19 H26 N3 O4 | | SMILES: | O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)CC | | InChi: | InChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/p+1/t14-,16-,17-,18-/m1/s1 | | Definition date: | 2009-02-23 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | VIN | | Name: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | | Formula: | C27 H24 N2 O3 | | SMILES: | O=C6N=Cc5c6c2c1c(cc(OC(C)C)cc1)CCc2c4c5c3ccccc3n4CCO | | InChi: | InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3 | | Definition date: | 2008-07-24 | | Last modified: | 2011-06-04 | | Identifier: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one |
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 | | HDP | | Name: | [(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1 | | Definition date: | 2004-07-22 | | Last modified: | 2010-03-30 | | Identifier: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | HSU | | Name: | beta-D-ribofuranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(OC(O)C1O)CO | | InChi: | InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 | | Definition date: | 2009-01-16 | | Last modified: | 2009-09-15 | | Identifier: | beta-D-ribofuranose |
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 | | 0SP | | Name: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C16 H26 N5 O6 P S2 | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCCSSCCC)CC3O | | InChi: | InChI=1/C16H26N5O6PS2/c1-2-5-29-30-6-3-4-17-15-14-16(19-9-18-15)21(10-20-14)13-7-11(22)12(27-13)8-26-28(23,24)25/h9-13,22H,2-8H2,1H3,(H,17,18,19)(H2,23,24,25)/t11-,12+,13+/m0/s1/f/h17,23-24H | | Definition date: | 2008-03-28 | | Last modified: | 2009-08-25 | | Identifier: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) |
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 | | UBR | | Name: | 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) | | Formula: | C9 H12 Br N2 O8 P | | SMILES: | BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | | Definition date: | 2008-03-26 | | Last modified: | 2009-04-07 | | Identifier: | 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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 | | IU6 | | Name: | 6-ETHYL-ISO-URSODEOXYCHOLIC 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=1/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/f/h28H | | Definition date: | 2003-03-25 | | Last modified: | 2008-10-14 | | Identifier: | (3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
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 | | MHM | | Name: | [7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON | | Formula: | C34 H32 Fe N4 O4 | | SMILES: | O=C(O)CCC=1C7=[N+]4C(C=1C)=Cc5c(C=C)c(c6C=C8[N+]3=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C=C)C)C | | InChi: | InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Synonyms: | MESOHEME | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+) |
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 | | MOL | | Name: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE | | Formula: | C15 H19 N3 O2 | | SMILES: | O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 | | InChi: | InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde |
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 | | DHO | | Name: | DEOXYCHOLIC ACID | | Formula: | C24 H40 O4 | | SMILES: | O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C | | InChi: | InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H | | Definition date: | 2000-09-08 | | Last modified: | 2008-10-14 | | Identifier: | (3beta,5beta,9beta,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid |
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 | | BP | | Name: | (-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | BPC | | Name: | (7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | Definition date: | 2001-10-04 | | Last modified: | 2008-10-14 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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