 | | PMO | | 表記: | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE | | 組成式: | C13 H17 N2 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3O | | InChi: | InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1 | | 別名: | PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | 定義日: | 2001-07-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-methoxy-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
|
 | | KR2 | | 表記: | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | | 組成式: | C22 H24 F3 N3 O2 | | SMILES: | O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F | | InChi: | InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1 | | 別名: | (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE | | 定義日: | 2007-01-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
|
 | | LIV | | 表記: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R
,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET
HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL | | 組成式: | C29 H55 N5 O18 | | SMILES: | O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO | | InChi: | InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1 | | 別名: | LIVIDOMYCIN A | | 定義日: | 2005-11-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside |
|
 | | TBN | | 表記: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | 組成式: | C11 H14 N4 O4 | | SMILES: | OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1 | | 別名: | 7-DEAZAADENOSINE | | 定義日: | 2003-06-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
|
 | | LJ3 | | 表記: | 3,5-dibromobiphenyl-4-ol | | 組成式: | C12 H8 Br2 O | | SMILES: | Brc1cc(cc(Br)c1O)c2ccccc2 | | InChi: | InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H | | 別名: | 3,5-Dibromo-4-hydroxybiphenyl | | 定義日: | 2008-03-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3,5-dibromobiphenyl-4-ol |
|
 | | VBP | | 表記: | 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid | | 組成式: | C15 H15 N3 O6 | | SMILES: | O=C(O)c1ccc(cc1)CN2C(=O)C=CN(C2=O)CC(N)C(=O)O | | InChi: | InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m1/s1 | | 別名: | (S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)pyrimidine-2,4-dione | | 定義日: | 2009-04-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-({3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid |
|
 | | LJ4 | | 表記: | 2,6-dibromo-4-phenoxyphenol | | 組成式: | C12 H8 Br2 O2 | | SMILES: | Brc2cc(Oc1ccccc1)cc(Br)c2O | | InChi: | InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H | | 別名: | 1,3-Dibromo-2-hydroxy-5-phenoxybenzene | | 定義日: | 2008-03-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2,6-dibromo-4-phenoxyphenol |
|
 | | TOG | | 表記: | 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3
-ium-2-yl]-4-oxidanyl-butanoic acid | | 組成式: | C16 H24 N4 O10 P2 S | | SMILES: | Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C-](O)CCC(O)=O)c(N)n1 | | InChi: | InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26) | | 別名: | ThDP and decarboxylated 2-oxoglutarate adduct, covalent intermediate I, carboanion form | | 定義日: | 2015-11-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-06-22 | | 識別子（ID）: | 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid |
|
 | | PMZ | | 表記: | 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE | | 組成式: | C19 H22 N2 O S | | SMILES: | O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C | | InChi: | InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 | | 別名: | ACETYLPROMAZINE | | 定義日: | 2002-06-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone |
|
 | | OTD | | 表記: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID | | 組成式: | C6 H6 N2 O5 | | SMILES: | O=C(O)C1C=C(C(=O)O)NC(=O)N1 | | InChi: | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 | | 別名: | HDDP | | 定義日: | 2007-03-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
|
 | | ODK | | 表記: | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid | | 組成式: | C9 H7 N3 O2 | | SMILES: | O=C(O)c1cc(nn1)c2ncccc2 | | InChi: | InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14) | | 別名: | 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid | | 定義日: | 2010-08-12 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid |
|
 | | TOI | | 表記: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl
(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid
anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid | | 組成式: | C26 H35 N4 O16 P2 S | | SMILES: | CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O | | InChi: | InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1 | | 別名: | ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II | | 定義日: | 2015-11-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-06-22 | | 識別子（ID）: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid |
|
 | | P8D | | 表記: | phosphinate pseudodipeptide L-Ala-D-Asp | | 組成式: | C7 H14 N O6 P | | SMILES: | O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O | | InChi: | InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5+/m1/s1 | | 別名: | (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid | | 定義日: | 2009-10-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
|
 | | TBX | | 表記: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | | 組成式: | C16 H22 Cl N3 O | | SMILES: | CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2 | | InChi: | InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1 | | 別名: | (S)-tebuconazole | | 定義日: | 2015-10-20 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-02-10 | | 識別子（ID）: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
|
 | | PN6 | | 表記: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione | | 組成式: | C19 H20 N4 O2 | | SMILES: | [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3 | | InChi: | InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- | | 別名: | Plinabulin | | 定義日: | 2015-08-28 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-11-04 | | 識別子（ID）: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione |
|
 | | RNA | | 表記: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | | 組成式: | C16 H14 N2 O4 S2 | | SMILES: | O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C | | InChi: | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- | | 別名: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE | | 定義日: | 2006-08-02 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
|
 | | RNB | | 表記: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde | | 組成式: | C18 H23 Cl O3 | | SMILES: | Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C | | InChi: | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+ | | 別名: | Colletochlorin B | | 定義日: | 2013-01-31 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-03-13 | | 識別子（ID）: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde |
|
 | | TBZ | | 表記: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE | | 組成式: | C32 H29 N8 O | | SMILES: | O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC(C8)[NH3+])C | | InChi: | InChI=1S/C32H28N8O/c1-41-23-7-2-18(3-8-23)30-34-24-9-4-19(14-27(24)37-30)31-35-25-10-5-20(15-28(25)38-31)32-36-26-11-6-22(16-29(26)39-32)40-13-12-21(33)17-40/h2-11,14-16,21H,12-13,17,33H2,1H3,(H,34,37)(H,35,38)(H,36,39)/p+1/t21-/m0/s1 | | 別名: | TRIBIZ | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3S)-1-[2''-(4-methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]pyrrolidin-3-aminium |
|
 | | P8N | | 表記: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6
),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide | | 組成式: | C29 H27 Cl N6 O3 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C | | InChi: | InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1 | | 別名: | TW22 | | 定義日: | 2020-04-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-05-27 | | 識別子（ID）: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide |
|
 | | MR2 | | 表記: | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | | 組成式: | C24 H15 N O6 | | SMILES: | [O-][N+](=O)c2c1cccc3c1c(cc2)C(OC3=O)(c4ccc(O)cc4)c5ccc(O)cc5 | | InChi: | InChI=1S/C24H15NO6/c26-16-8-4-14(5-9-16)24(15-6-10-17(27)11-7-15)20-12-13-21(25(29)30)18-2-1-3-19(22(18)20)23(28)31-24/h1-13,26-27H | | 別名: | MR20 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3,3-bis(4-hydroxyphenyl)-6-nitro-1H,3H-benzo[de]isochromen-1-one |
|
 | | HCV | | 表記: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | | 組成式: | C15 H27 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS | | InChi: | InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1 | | 別名: | Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine | | 定義日: | 2013-01-24 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-02-01 | | 識別子（ID）: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
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 | | SGS | | 表記: | (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL
3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE | | 組成式: | C17 H22 O10 | | SMILES: | O=C(OC1OC(C(O)C(O)C1O)CO)C=Cc2cc(OC)c(O)c(OC)c2 | | InChi: | InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1 | | 別名: | 1-O-SINAPOYL-BETA-D-GLUCOSE | | 定義日: | 2006-06-13 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose |
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 | | KRS | | 表記: | cladosporin | | 組成式: | C16 H20 O5 | | SMILES: | O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23 | | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1 | | 別名: | (3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | | 定義日: | 2014-02-08 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-16 | | 識別子（ID）: | (3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one |
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 | | SGV | | 表記: | SANGIVAMYCIN | | 組成式: | C12 H15 N5 O5 | | SMILES: | O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N | | InChi: | InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 | | 別名: | 4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | | 定義日: | 2010-07-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
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 | | P8T | | 表記: | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t
rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | 組成式: | C32 H28 Cl N7 O2 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C | | InChi: | InChI=1S/C32H28ClN7O2S/c1-17-18(2)43-32-28(17)29(20-8-12-22(33)13-9-20)36-26(30-39-38-19(3)40(30)32)16-27(41)35-23-14-10-21(11-15-23)31(42)37-25-7-5-4-6-24(25)34/h4-15,26H,16,34H2,1-3H3,(H,35,41)(H,37,42)/t26-/m0/s1 | | 別名: | TW9 | | 定義日: | 2020-04-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2020-05-06 | | 識別子（ID）: | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide |
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