 | | 396 | | Name: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide | | Formula: | C28 H25 Cl N4 O4 | | SMILES: | Clc1ccccc1c2cc6c(c3c2C(=O)NC3=O)c5c(cc(C(=O)NCCN4CCCC4)c(O)c5)n6C | | InChi: | InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37) | | Definition date: | 2007-12-04 | | Last modified: | 2011-06-04 | | Identifier: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazole-8-carboxamide |
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 | | FYN | | Name: | 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} THIOFORMATE | | Formula: | C22 H36 N7 O17 P3 S | | SMILES: | O=CSCCNC(=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/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1 | | Definition date: | 2007-02-26 | | 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} thioformate (non-preferred name) |
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 | | FYO | | Name: | 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile | | Formula: | C13 H8 N6 O3 | | SMILES: | O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3 | | InChi: | InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19) | | Definition date: | 2010-08-23 | | Last modified: | 2011-06-04 | | Identifier: | 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile |
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 | | G19 | | Name: | (2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5-DIHYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROP[1]ENOCYCLOPENTA[8]ANNULEN-8-YL [(6-AMINOPYRIDAZIN-3-YL)CARBONYL]CARBAMATE | | Formula: | C26 H34 N4 O6 | | SMILES: | O=C(c1nnc(N)cc1)NC(=O)OC4CC(C=C)(C)C(O)C(C)C23C=CC(C)C4(C)C3C(=O)C(O)C2 | | InChi: | InChI=1S/C26H34N4O6/c1-6-24(4)12-17(36-23(35)28-22(34)15-7-8-18(27)30-29-15)25(5)13(2)9-10-26(14(3)21(24)33)11-16(31)19(32)20(25)26/h6-10,13-14,16-17,20-21,31,33H,1,11-12H2,2-5H3,(H2,27,30)(H,28,34,35)/t13-,14+,16+,17-,20+,21+,24-,25+,26+/m1/s1 | | Definition date: | 2007-01-17 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3aR,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate |
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 | | G1G | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-GUANOSINE | | Formula: | C22 H32 N10 O18 P3 | | SMILES: | O=C1NC(=Nc2c1n(c[n+]2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(OC)C6O)C)N | | InChi: | InChI=1S/C22H31N10O18P3/c1-30-6-32(16-10(30)18(37)29-22(24)27-16)19-13(35)11(33)7(47-19)3-45-51(38,39)49-53(42,43)50-52(40,41)46-4-8-12(34)14(44-2)20(48-8)31-5-25-9-15(31)26-21(23)28-17(9)36/h5-8,11-14,19-20,33-35H,3-4H2,1-2H3,(H8-,23,24,26,27,28,29,36,37,38,39,40,41,42,43)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Definition date: | 2007-04-03 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium (non-preferred name) |
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 | | 1TP | | Name: | 1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-[(1S)-1-CARBOXY-1-HYDROXYETHYL]-4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-DIPHOSPHOX-1-EN-2-IUM 3-OXIDE | | Formula: | C15 H26 N4 O10 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC2SC(N(Cc1cnc(nc1N)C)C2C)C(O)(C(=O)O)C | | InChi: | InChI=1S/C15H26N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,8,11,13,22H,4-5,7H2,1-3H3,(H,20,21)(H,26,27)(H2,16,17,18)(H2,23,24,25)/t8-,11-,13+,15+/m0/s1 | | Definition date: | 2005-10-11 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[(2R,4S,5S)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl]-2-hydroxypropanoic acid |
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 | | G21 | | Name: | 5-ACETYLAMINO-4-AMINO-6-(PHENETHYLPROPYLCARBAMOYL)5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID | | Formula: | C20 H29 N3 O5 | | SMILES: | O=C(O)C2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C2 | | InChi: | InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,15-18H,3,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16+,17+,18+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4S,5R,6R)-5-(acetylamino)-4-amino-6-[(2-phenylethyl)(propyl)carbamoyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | LG0 | | Name: | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | | Formula: | C28 H29 F3 N4 O2 | | SMILES: | FC(F)(F)c6nn(c1ccc(OC)cc1)c5C(=O)N(c2ccc(cc2)C3(CC3)CN4CCCC4)CCc56 | | InChi: | InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3 | | Definition date: | 2008-04-21 | | Last modified: | 2011-06-04 | | Identifier: | 1-(4-methoxyphenyl)-6-{4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one |
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 | | LG2 | | Name: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID | | Formula: | C24 H29 N O2 | | SMILES: | O=C(O)c1cnc(cc1)C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4 | | InChi: | InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27) | | Definition date: | 2001-03-23 | | Last modified: | 2011-06-04 | | Identifier: | 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid |
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 | | LG6 | | Name: | L-GULURONIC ACID 6-PHOSPHATE | | Formula: | C6 H13 O10 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1 | | Definition date: | 2002-02-06 | | Last modified: | 2011-06-04 | | Identifier: | 6-O-phosphono-L-gulonic acid |
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 | | LG7 | | Name: | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE | | Formula: | C17 H13 N3 O3 | | SMILES: | N#Cc1c4c(c(cc1)N2C(=O)C3N(C2=O)CCC3O)cccc4 | | InChi: | InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14-15,21H,7-8H2/t14-,15+/m1/s1 | | Definition date: | 2006-09-28 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]naphthalene-1-carbonitrile |
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 | | LG8 | | Name: | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE | | Formula: | C28 H28 N4 O2 | | SMILES: | O=C3C(=C1C=[N+](c2ccccc12)C)C(C(=O)N3)=C5c4ccccc4[N+]6=C5CC(CN(C)C)CC6 | | InChi: | InChI=1S/C28H27N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3/q+1/p+1/b25-20+,26-24+/t17-/m1/s1 | | Definition date: | 2007-01-16 | | Last modified: | 2011-06-04 | | Identifier: | (8R,10E)-8-[(dimethylamino)methyl]-10-[(4Z)-4-(1-methyl-3H-indolium-3-ylidene)-2,5-dioxopyrrolidin-3-ylidene]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]indolium |
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 | | LGS | | Name: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol | | Formula: | C15 H28 N2 O5 | | SMILES: | N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC | | InChi: | InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1 | | Definition date: | 2009-02-24 | | Last modified: | 2011-06-04 | | Identifier: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol |
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 | | LGT | | Name: | L-GLUCARIC ACID | | Formula: | C6 H10 O8 | | SMILES: | O=C(O)C(O)C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1 | | Definition date: | 2007-05-15 | | Last modified: | 2011-06-04 | | Identifier: | L-glucaric acid |
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 | | LIO | | Name: | [1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE | | Formula: | C33 H67 N O8 P | | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCC)CCCCCCCCC | | InChi: | InChI=1S/C33H66NO8P/c1-6-8-10-12-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34(3,4)5)42-33(36)26-24-22-19-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1 | | Definition date: | 1999-12-15 | | Last modified: | 2011-06-04 | | Identifier: | (4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatetracosan-1-aminium 4-oxide |
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 | | LIR | | Name: | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM | | Formula: | C19 H21 N6 O2 | | SMILES: | N#Cc1ccccc1C[n+]2c(nc3c2C(=O)N(C3=O)C)N4CCCC(N)C4 | | InChi: | InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/p+1/t14-/m0/s1 | | Definition date: | 2006-08-22 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(3S)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium |
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 | | LIY | | Name: | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE | | Formula: | C25 H31 N5 O | | SMILES: | n4c(c(c1ccc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N)CC | | InChi: | InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)/t21-/m0/s1 | | Definition date: | 2006-10-04 | | Last modified: | 2011-06-04 | | Identifier: | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine |
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 | | 21P | | Name: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid | | Formula: | C21 H26 O4 Si2 | | SMILES: | O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)[Si](C[Si]4(C)C)(C)C | | InChi: | InChI=1S/C21H26O4Si2/c1-26(2)14-27(3,4)19-13-17(9-10-18(19)26)21(24-11-12-25-21)16-7-5-15(6-8-16)20(22)23/h5-10,13H,11-12,14H2,1-4H3,(H,22,23) | | Definition date: | 2009-01-21 | | Last modified: | 2011-06-04 | | Identifier: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid |
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 | | 220 | | Name: | UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE | | Formula: | C15 H20 O4 | | SMILES: | O=CC(=C/CCCC=O)CCC=C(C=O)CCC=O | | InChi: | InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2 | | Definition date: | 2006-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (3E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde |
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 | | LMS | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE | | Formula: | C10 H14 N6 O6 S | | SMILES: | O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N | | InChi: | InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2002-09-11 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-sulfamoyladenosine |
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 | | LMZ | | Name: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE | | Formula: | C9 H14 N4 O7 | | SMILES: | O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)C(=O)N1 | | InChi: | InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1 | | Definition date: | 1999-07-30 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-[(5-nitroso-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-D-ribitol |
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 | | LNG | | Name: | Delta-3isotetradecenoic acid | | Formula: | C14 H26 O2 | | SMILES: | O=C(O)CC=C/CCCCCCCC(C)C | | InChi: | InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8- | | Definition date: | 2004-07-16 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-12-methyltridec-3-enoic acid |
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 | | 3OD | | Name: | (2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-4,5-DIHYDROXYTETRAHYDROFURAN-3-YL ACETATE | | Formula: | C17 H25 N5 O15 P2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4OC(=O)C | | InChi: | InChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11-,12-,13-,16-,17+/m1/s1 | | Definition date: | 2006-05-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate (non-preferred name) |
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 | | LO3 | | Name: | (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one | | Formula: | C42 H70 O12 | | SMILES: | O=C3OC(C(C)C(OC)CC(OC)C1(OC1)C(OC)CC2OC(C=CC2)CC(OC)C(O)C=C(C=C3)C)C(C)C(O)C(CCC4OC(CC(OC)C4)C)C | | InChi: | InChI=1S/C42H70O12/c1-25-14-17-39(44)54-41(29(5)40(45)26(2)15-16-32-20-33(46-6)19-27(3)52-32)28(4)35(47-7)23-38(50-10)42(24-51-42)37(49-9)22-31-13-11-12-30(53-31)21-36(48-8)34(43)18-25/h11-12,14,17-18,26-38,40-41,43,45H,13,15-16,19-24H2,1-10H3/b17-14+,25-18+/t26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,40-,41-,42-/m0/s1 | | Definition date: | 2010-03-17 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-4-methylhexan-2-yl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one |
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 | | 3P5 | | Name: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | | Formula: | C22 H26 Br N O4 S | | SMILES: | O=S3(=O)CC(C(O)C(NCc1cccc(c1)C2CC2)C3)Cc4ccc(O)c(Br)c4 | | InChi: | InChI=1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1 | | Definition date: | 2010-11-09 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide |
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