 | JY | Name: | 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL | Formula: | C28 H38 O2 | SMILES: | OC4CC(=C/C=C2CCCC3(C)C(C(C)Cc1cccc(O)c1)CCC23)/C(=C)CC4 | InChi: | InChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1 | Synonyms: | 22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3 | Definition date: | 2001-06-06 | Last modified: | 2020-06-17 | Identifier: | 3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name) |
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 | JYD | Name: | (2S)-2-sulfanylbutanedioic acid | Formula: | C4 H6 O4 S | SMILES: | C(C(=O)O)C(S)C(O)=O | InChi: | InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1 | Synonyms: | thiomalate | Definition date: | 2018-10-18 | Last modified: | 2020-06-17 | Release date: | 2019-01-30 | Identifier: | (2S)-2-sulfanylbutanedioic acid |
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 | JZ0 | Name: | o-cresol | Formula: | C7 H8 O | SMILES: | Cc1ccccc1O | InChi: | InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 | Synonyms: | ortho-cresol,2-methylphenol | Definition date: | 2009-06-15 | Last modified: | 2020-06-17 | Identifier: | 2-methylphenol |
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 | JZ3 | Name: | Guaiacol | Formula: | C7 H8 O2 | SMILES: | Oc1ccccc1OC | InChi: | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 | Synonyms: | 2-methoxyphenol | Definition date: | 2009-06-16 | Last modified: | 2020-06-17 | Identifier: | 2-methoxyphenol |
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 | JZA | Name: | 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine | Formula: | C7 H12 N2 O4 S | SMILES: | O=C(N1CCOCC1)N2CCS2(=O)=O | InChi: | InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2 | Synonyms: | beta-sultam | Definition date: | 2009-08-10 | Last modified: | 2020-06-17 | Identifier: | (1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone |
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 | JZQ | Name: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-
inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C33 H35 F2 N3 O6 S | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccccc4)CSC5(C)C | InChi: | InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1 | Synonyms: | KNI-10265 | Definition date: | 2009-10-23 | Last modified: | 2020-06-17 | Identifier: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | K21 | Name: | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE | Formula: | C25 H32 N2 O2 S | SMILES: | O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4 | InChi: | InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3 | Synonyms: | K201 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine |
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 | K37 | Name: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE | Formula: | C8 H4 Br4 N2 S | SMILES: | Brc2c1nc(SC)nc1c(Br)c(Br)c2Br | InChi: | InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14) | Synonyms: | S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | Definition date: | 2005-05-18 | Last modified: | 2020-06-17 | Identifier: | 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1H-benzimidazole |
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 | K44 | Name: | 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE | Formula: | C10 H7 Br4 N3 | SMILES: | Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C | InChi: | InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3 | Synonyms: | N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE | Definition date: | 2005-05-18 | Last modified: | 2020-06-17 | Identifier: | 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole |
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 | FAJ | Name: | FAD-trans-2-Phenylcyclopropylamine Adduct | Formula: | C36 H43 N9 O16 P2 | SMILES: | O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O | InChi: | InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-25,27-29,32,46-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H,42,52,53)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1 | Synonyms: | FAD-PCPA Adduct | Definition date: | 2013-03-15 | Last modified: | 2020-06-17 | Release date: | 2013-03-27 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | FAY | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl
(2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen
diphosphate | Formula: | C27 H31 N9 O16 P2 | SMILES: | O=Cc2c(cc3N=C1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C | InChi: | InChI=1S/C27H31N9O16P2/c1-10-2-12-13(3-11(10)5-37)35(24-18(32-12)25(43)34-27(44)33-24)4-14(38)19(40)15(39)6-49-53(45,46)52-54(47,48)50-7-16-20(41)21(42)26(51-16)36-9-31-17-22(28)29-8-30-23(17)36/h2-3,5,8-9,14-16,19-21,26,38-42H,4,6-7H2,1H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | Synonyms: | 8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE | Definition date: | 2011-06-02 | Last modified: | 2020-06-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | FB7 | Name: | 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine | Formula: | C19 H22 F3 N5 O2 | SMILES: | Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3)N4CCOCC4)C(F)(F)F | InChi: | InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24) | Synonyms: | MBT147 | Definition date: | 2016-10-27 | Last modified: | 2020-06-17 | Release date: | 2017-02-22 | Identifier: | 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine |
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 | FBM | Name: | N-hydroxycyclohex-1-ene-1-carboxamide | Formula: | C7 H11 N O2 | SMILES: | C1C(C(=O)NO)=CCCC1 | InChi: | InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9) | Synonyms: | cyclohexenylhydroxamate | Definition date: | 2018-03-22 | Last modified: | 2020-06-17 | Release date: | 2018-05-30 | Identifier: | N-hydroxycyclohex-1-ene-1-carboxamide |
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 | FBN | Name: | 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine | Formula: | C20 H20 N10 O8 | SMILES: | [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NCc2nnn(c2)CC5OC(n4cnc3c(ncnc34)N)C(O)C5O | InChi: | InChI=1S/C20H20N10O8/c21-17-13-18(24-6-23-17)29(7-25-13)20-16(34)15(33)12(38-20)5-28-4-8(26-27-28)3-22-19(35)10-1-9(30(36)37)2-11(31)14(10)32/h1-2,4,6-7,12,15-16,20,31-34H,3,5H2,(H,22,35)(H2,21,23,24)/t12-,15-,16-,20-/m1/s1 | Synonyms: | N-[(1-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihy
droxy-5-nitrobenzamide | Definition date: | 2009-09-30 | Last modified: | 2020-06-17 | Identifier: | 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine |
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 | FE1 | Name: | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | Formula: | C22 H26 N8 O3 | SMILES: | O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)N4CCC(C(=O)OC)CC4 | InChi: | InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28) | Synonyms: | 903R | Definition date: | 2006-03-27 | Last modified: | 2020-06-17 | Identifier: | methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]piperidine-4-carboxylate |
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 | FEC | Name: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX | Formula: | C36 H36 Fe N4 O8 | SMILES: | O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C | InChi: | InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29 | Synonyms: | FE-COPROPORPHYRIN III | Definition date: | 2003-01-31 | Last modified: | 2020-06-17 | Identifier: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(2-)]iron(2+) |
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 | FEJ | Name: | (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic
acid (non-preferred name) | Formula: | C14 H21 N2 O8 P | SMILES: | OP(O)(=O)OCc1cnc(c(c1[C@H]=NC(C(C(C)C)O)C(O)=O)O)C | InChi: | InChI=1S/C14H21N2O8P/c1-7(2)12(17)11(14(19)20)16-5-10-9(6-24-25(21,22)23)4-15-8(3)13(10)18/h4-5,7,11-12,17-18H,6H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-5+/t11-,12-/m0/s1 | Synonyms: | (2S,3S)-isopropylserine | Definition date: | 2018-03-27 | Last modified: | 2020-06-17 | Release date: | 2018-09-26 | Identifier: | (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name) |
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 | FER | Name: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID | Formula: | C10 H10 O4 | SMILES: | O=C(O)C=Cc1cc(OC)c(O)cc1 | InChi: | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | Synonyms: | FERULIC ACID | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
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 | FEZ | Name: | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate | Formula: | C22 H30 O4 | SMILES: | C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC(=O)c2ccc(O)cc2 | InChi: | InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11-,16-6-/t19-,20+,22+/m1/s1 | Synonyms: | FEROLINE | Definition date: | 2016-03-03 | Last modified: | 2020-06-17 | Release date: | 2017-03-08 | Identifier: | (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate |
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 | FFO | Name: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid | Formula: | C20 H23 N7 O7 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1 | Synonyms: | [6S]-5-FORMYL-TETRAHYDROFOLATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid |
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 | FGG | Name: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate | Formula: | C20 H35 F O7 P2 | SMILES: | O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O | InChi: | InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19- | Synonyms: | 2-fluoro-geranylgeranyl diphosphate | Definition date: | 2010-10-22 | Last modified: | 2020-06-17 | Identifier: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate |
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 | FHI | Name: | 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID | Formula: | C13 H7 F2 I O3 | SMILES: | Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O | InChi: | InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) | Synonyms: | IODODIFLUNISAL | Definition date: | 2004-12-09 | Last modified: | 2020-06-17 | Identifier: | 2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid |
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 | FHP | Name: | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID | Formula: | C15 H27 O4 P | SMILES: | O=P(O)(O)C(O)/C=C(/CCC=C(/C)CCC=C(/C)C)C | InChi: | InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1 | Synonyms: | FARNESYL HYDROXYPHOSPHONATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | [(1R,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphonic acid |
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 | FID | Name: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | Formula: | C12 H10 F N3 O4 | SMILES: | Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3 | InChi: | InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1 | Synonyms: | FIDARESTAT | Definition date: | 2000-02-14 | Last modified: | 2020-06-17 | Identifier: | (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide |
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 | FIL | Name: | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME | Formula: | C15 H20 N2 O4 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O | InChi: | InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+ | Synonyms: | FILAMINAST | Definition date: | 2004-11-17 | Last modified: | 2020-06-17 | Identifier: | [1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate |
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