 | | 760 | | Name: | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | | Formula: | C20 H20 N2 | | SMILES: | n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4 | | InChi: | InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22) | | Synonyms: | 9-N-PHENYLMETHYLAMINO-TACRINE | | Definition date: | 1999-12-20 | | Last modified: | 2021-03-01 | | Identifier: | N-benzyl-1,2,3,4-tetrahydroacridin-9-amine |
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 | | 383 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID | | Formula: | C17 H23 N3 O9 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O | | InChi: | InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1 | | Synonyms: | SB-219383 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid |
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 | | 39H | | Name: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide | | Formula: | C23 H21 N3 O3 | | SMILES: | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5 | | InChi: | InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) | | Synonyms: | D67 | | Definition date: | 2014-07-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide |
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 | | 39W | | Name: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide | | Formula: | C37 H45 F N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7 | | InChi: | InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1 | | Synonyms: | IDX320 | | Definition date: | 2014-07-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide |
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 | | 3AT | | Name: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE | | Formula: | C10 H16 N5 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3 | | InChi: | InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1 | | Synonyms: | CORDYCEPIN TRIPHOSPHATE | | Definition date: | 2000-06-21 | | Last modified: | 2021-03-01 | | Identifier: | 3'-deoxyadenosine 5'-(tetrahydrogen triphosphate) |
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 | | 3D1 | | Name: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol | | Formula: | C10 H13 N5 O3 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 | | Synonyms: | 2'-DEOXYADENOSINE | | Definition date: | 2004-02-16 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxyadenosine |
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 | | 3KK | | Name: | S-{(3R,5R,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} 2-hydroxy-2-methylpropanethioate | | Formula: | C25 H42 N7 O18 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)C(O)(C)C | | InChi: | InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | 2-Hydroxyisobutyryl-Coenzyme A | | Definition date: | 2014-09-04 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-11 | | Identifier: | S-{(3R,5R,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} 2-hydroxy-2-methylpropanethioate (non-preferred name) |
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 | | 3KL | | Name: | (5beta,9beta)-3-oxocholan-24-oic acid | | Formula: | C24 H38 O3 | | SMILES: | O=C(O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C | | InChi: | InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 | | Synonyms: | 3-keto-lithocholic acid | | Definition date: | 2013-02-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | (5beta,9beta)-3-oxocholan-24-oic acid |
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 | | 44D | | Name: | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE | | Formula: | C32 H37 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C | | InChi: | InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1 | | Synonyms: | 4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN | | Definition date: | 2002-12-16 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside |
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 | | 485 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID | | Formula: | C17 H24 N2 O8 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C | | InChi: | InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1 | | Synonyms: | SB-284485 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid |
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 | | 4CS | | Name: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID | | Formula: | C6 H10 N2 O2 | | SMILES: | O=C(O)C1N=C(NCC1)C | | InChi: | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 | | Synonyms: | ECTOINE | | Definition date: | 2007-06-15 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | 6JR | | Name: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one | | Formula: | C18 H16 N5 O7 P | | SMILES: | n54C(c3ncn(C2OC1COP(OC1C2O)(O)=O)c3Nc4nc(c5)c6ccccc6)=O | | InChi: | InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1 | | Synonyms: | PET-cGMP | | Definition date: | 2016-04-19 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-09 | | Identifier: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one |
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 | | 6OJ | | Name: | 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one | | Formula: | C12 H10 Cl2 N2 O | | SMILES: | Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C | | InChi: | InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17) | | Synonyms: | Dihydro-Bauerine C | | Definition date: | 2012-05-03 | | Last modified: | 2021-03-01 | | Identifier: | 7,8-dichloro-9-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one |
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 | | 9B4 | | Name: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol | | Formula: | C20 H42 O9 | | SMILES: | CC(COCC(CO)(COCC(C)O)COCC(OCC(O)C)C)OCC(O)C | | InChi: | InChI=1S/C20H42O9/c1-15(22)6-25-12-20(11-21,13-26-9-18(4)28-7-16(2)23)14-27-10-19(5)29-8-17(3)24/h15-19,21-24H,6-14H2,1-5H3/t15-,16-,17-,18-,19-/m1/s1 | | Synonyms: | Pentaerythritol propoxylate (5/4 PO/OH) | | Definition date: | 2017-04-14 | | Last modified: | 2021-03-01 | | Release date: | 2017-10-25 | | Identifier: | (2R,5R,13R,16R)-9-(hydroxymethyl)-9-{[(2R)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol |
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 | | 9BZ | | Name: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid | | Formula: | C9 H15 N O2 S3 | | SMILES: | CC1(C)S[CH]2CS[CH](CS)N2[CH]1C(O)=O | | InChi: | InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1 | | Synonyms: | L-VC26 | | Definition date: | 2015-11-20 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-01 | | Identifier: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
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 | | 9J7 | | Name: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H22 F2 N2 O3 S | | SMILES: | c1(c(c(F)c(C)cc1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-10-24-17-8-7-16(11-14(17)6-9-18(24)25)23-28(26,27)12-15-5-4-13(2)19(21)20(15)22/h4-5,7-8,11,23H,3,6,9-10,12H2,1-2H3 | | Synonyms: | AMF2alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | EEM | | Name: | [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium | | Formula: | C15 H23 N6 O5 Se | | SMILES: | O=C(O)C(N)CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1 | | Synonyms: | Se-ADENOSYLSELENOMETHIONINE | | Definition date: | 2008-09-03 | | Last modified: | 2021-03-01 | | Identifier: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylselenonium (non-preferred name) |
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 | | EIT | | Name: | ((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C15 H21 N4 O9 P | | SMILES: | O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCn2ccnc2)COP(=O)(O)O | | InChi: | InChI=1S/C15H21N4O9P/c1-9-6-19(15(22)17-13(9)21)14-12(26-5-4-18-3-2-16-8-18)11(20)10(28-14)7-27-29(23,24)25/h2-3,6,8,10-12,14,20H,4-5,7H2,1H3,(H,17,21,22)(H2,23,24,25)/t10-,11-,12-,14-/m1/s1 | | Synonyms: | 2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE | | Definition date: | 2004-12-16 | | Last modified: | 2021-03-01 | | Identifier: | 2'-O-[2-(1H-imidazol-1-yl)ethyl]-5-methyluridine 5'-(dihydrogen phosphate) |
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 | | 4TD | | Name: | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol | | Formula: | C17 H36 O8 | | SMILES: | O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C | | InChi: | InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1 | | Synonyms: | tetraerythritol propoxylate | | Definition date: | 2014-01-08 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-09 | | Identifier: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name) |
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 | | 523 | | Name: | 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE) | | Formula: | C10 H19 N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O | | InChi: | InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1 | | Synonyms: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE | | Definition date: | 2007-01-22 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) |
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 | | 545 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | | Formula: | C21 H33 N3 O9 | | SMILES: | O=C(OCCCC)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO | | InChi: | InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1 | | Synonyms: | SB-243545 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | butyl (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoate |
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 | | 564 | | Name: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID | | Formula: | C26 H26 O3 | | SMILES: | O=C(O)c2ccc1cc(ccc1c2)C(=O)c3ccc4c(c3)C(CCC4(C)C)(C)C | | InChi: | InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29) | | Synonyms: | CD564 | | Definition date: | 2000-08-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid |
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 | | 2CR | | Name: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid | | Formula: | C28 H43 N O6 | | SMILES: | O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C | | InChi: | InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 | | Synonyms: | Borrelidin | | Definition date: | 2014-03-19 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-11 | | Identifier: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid |
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 | | BKM | | Name: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | | Formula: | C33 H52 O11 | | SMILES: | C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC | | InChi: | InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1 | | Synonyms: | Tautomycetin diacid form | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-29 | | Identifier: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
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 | | BM5 | | Name: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER | | Formula: | C18 H15 N O3 S | | SMILES: | O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4 | | InChi: | InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1 | | Synonyms: | BM +50.0934 | | Definition date: | 1999-07-20 | | Last modified: | 2021-03-01 | | Identifier: | methyl (3R,9bR)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate |
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