 | | JL3 | | 表記: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate | | 組成式: | C35 H70 N O8 P | | SMILES: | CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1 | | 別名: | 1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine | | 定義日: | 2023-08-08 | | 最終更新日: | 2024-03-01 | | 公開日: | 2024-03-06 | | 識別子（ID）: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate |
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 | | JLQ | | 表記: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate | | 組成式: | C35 H70 N O8 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1 | | 別名: | 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine | | 定義日: | 2023-08-08 | | 最終更新日: | 2024-03-01 | | 公開日: | 2024-03-06 | | 識別子（ID）: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate |
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 | | WC9 | | 表記: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | | 組成式: | C25 H42 N2 O6 S | | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCCC=CC1C)C(O)C(O)C2O | | InChi: | InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1 | | 定義日: | 2023-09-29 | | 最終更新日: | 2024-02-16 | | 公開日: | 2024-02-21 | | 識別子（ID）: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
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 | | LFL | | 表記: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol | | 組成式: | C21 H25 Cl O5 S | | SMILES: | CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1 | | InChi: | InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1 | | 別名: | Sotagliflozin | | 定義日: | 2022-11-18 | | 最終更新日: | 2023-11-10 | | 公開日: | 2023-11-15 | | 識別子（ID）: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol |
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 | | A5N | | 表記: | O-carboxy-4-imino-L-homoserine | | 組成式: | C5 H8 N2 O5 | | SMILES: | O=C(O)C(N)CC(=[N@H])OC(=O)O | | InChi: | InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1 | | 定義日: | 2010-07-04 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | O-carboxy-4-imino-L-homoserine |
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 | | BZK | | 表記: | (2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid | | 組成式: | C11 H21 N O4 | | SMILES: | CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O | | InChi: | InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1 | | 定義日: | 2017-11-01 | | 最終更新日: | 2023-11-03 | | 公開日: | 2018-07-18 | | 識別子（ID）: | (2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid |
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 | | 6J9 | | 表記: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | | 組成式: | C10 H13 N5 | | SMILES: | c2(c1c(ncc1)ncn2)N3CCNCC3 | | InChi: | InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14) | | 定義日: | 2016-04-14 | | 最終更新日: | 2023-11-03 | | 公開日: | 2016-07-20 | | 識別子（ID）: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
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 | | 99Y | | 表記: | 4-carboxy-D-phenylalanine | | 組成式: | C10 H11 N O4 | | SMILES: | C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O | | InChi: | InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1 | | 定義日: | 2017-04-11 | | 最終更新日: | 2023-11-03 | | 公開日: | 2017-11-15 | | 識別子（ID）: | 4-carboxy-D-phenylalanine |
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 | | XO9 | | 表記: | 1,3-benzothiazole-2(3H)-thione | | 組成式: | C7 H5 N S2 | | SMILES: | S=C1Nc2ccccc2S1 | | InChi: | InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) | | 別名: | 2-mercaptobenzothiazole, thione tautomer | | 定義日: | 2022-12-02 | | 最終更新日: | 2023-11-02 | | 公開日: | 2023-03-01 | | 識別子（ID）: | 1,3-benzothiazole-2(3H)-thione |
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 | | ZWN | | 表記: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | | 組成式: | C27 H32 O14 | | SMILES: | Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O | | InChi: | InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 | | 別名: | Naringin | | 定義日: | 2023-04-13 | | 最終更新日: | 2023-09-08 | | 公開日: | 2023-09-13 | | 識別子（ID）: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
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 | | LS9 | | 表記: | pyridin-3-ylboronic acid | | 組成式: | C5 H6 B N O2 | | SMILES: | OB(O)c1cccnc1 | | InChi: | InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H | | 定義日: | 2022-07-11 | | 最終更新日: | 2023-08-11 | | 公開日: | 2023-08-16 | | 識別子（ID）: | pyridin-3-ylboronic acid |
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 | | K3I | | 表記: | Zeaxanthin | | 組成式: | C40 H56 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1 | | 別名: | zeaxanthin | | 定義日: | 2022-05-18 | | 最終更新日: | 2023-03-24 | | 公開日: | 2023-03-29 | | 識別子（ID）: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
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 | | IKZ | | 表記: | 1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-1H-pyrazole-4,5-dicarboxamide | | 組成式: | C24 H20 N8 O2 | | SMILES: | O=C(NCc1ccccn1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1 | | InChi: | InChI=1S/C24H20N8O2/c1-31-21(18(14-27-31)22(33)26-13-17-9-5-6-11-25-17)23(34)29-20-10-12-32-15-19(28-24(32)30-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,33)(H,28,29,30,34) | | 定義日: | 2022-01-26 | | 最終更新日: | 2022-10-07 | | 公開日: | 2022-10-12 | | 識別子（ID）: | 1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-1H-pyrazole-4,5-dicarboxamide |
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 | | 7QW | | 表記: | 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one | | 組成式: | C20 H21 N3 O | | SMILES: | N[CH]1CCN(C1)Cc2cccc(c2)c3ccc4c(O)nccc4c3 | | InChi: | InChI=1S/C20H21N3O/c21-18-7-9-23(13-18)12-14-2-1-3-15(10-14)16-4-5-19-17(11-16)6-8-22-20(19)24/h1-6,8,10-11,18H,7,9,12-13,21H2,(H,22,24)/t18-/m1/s1 | | 定義日: | 2021-08-20 | | 最終更新日: | 2022-09-16 | | 公開日: | 2022-09-21 | | 識別子（ID）: | 6-[3-[(3-azanylpyrrolidin-1-yl)methyl]phenyl]isoquinolin-1-ol |
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 | | 9IB | | 表記: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid | | 組成式: | C30 H34 N4 O8 S | | SMILES: | CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc(c3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1 | | InChi: | InChI=1S/C30H34N4O8S/c1-17(35)34-12-6-11-25(34)27(37)31-23-14-42-30(41)21-10-5-9-20(18-7-4-8-19(13-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4-5,7-10,13,23-25H,6,11-12,14-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1 | | 定義日: | 2021-11-11 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | 3-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid |
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 | | S7O | | 表記: | 2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid | | 組成式: | C10 H11 N4 O4 | | SMILES: | O=C(O)CN(C)C(=O)c1c[n+]2C(=O)NNc2cc1 | | InChi: | InChI=1S/C10H10N4O4/c1-13(5-8(15)16)9(17)6-2-3-7-11-12-10(18)14(7)4-6/h2-4H,5H2,1H3,(H2,12,15,16,18)/p+1 | | 定義日: | 2022-06-23 | | 最終更新日: | 2022-07-08 | | 公開日: | 2022-07-13 | | 識別子（ID）: | N-methyl-N-(3-oxo-2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-carbonyl)glycine |
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 | | WUD | | 表記: | ingenol-3-angelate | | 組成式: | C25 H34 O6 | | SMILES: | C[C@H]=C(C(=O)OC3C4(C(O)C(CO)=CC1C(C4(C(CC2C1C2(C)C)C)C=C3C)=O)O)C | | InChi: | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 | | 別名: | ingenol mebutate | | 定義日: | 2020-11-15 | | 最終更新日: | 2022-04-29 | | 公開日: | 2022-05-04 | | 識別子（ID）: | (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z)-2-methylbut-2-enoate |
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 | | B5J | | 表記: | methyltriphenylphosphonium | | 組成式: | C19 H18 P | | SMILES: | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1 | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-02-25 | | 公開日: | 2022-03-02 | | 識別子（ID）: | methyl(triphenyl)phosphanium |
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 | | 6OS | | 表記: | Neplanocin-A | | 組成式: | C11 H13 N5 O3 | | SMILES: | c1nc2c(c(n1)N)ncn2C3C(C(O)C(=C3)CO)O | | InChi: | InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1 | | 別名: | (1S,2R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol | | 定義日: | 2016-05-16 | | 最終更新日: | 2021-03-13 | | 公開日: | 2016-05-25 | | 識別子（ID）: | (1S,2R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
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 | | R3E | | 表記: | (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione | | 組成式: | C45 H57 N O10 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOCC=CCOc6cccc2c6)c(OC)c5)cc1OC | | InChi: | InChI=1S/C45H57NO10/c1-49-38-21-19-31(27-39(38)50-2)18-20-37-33-15-12-16-35(28-33)54-24-11-10-23-53-25-26-55-43-40(51-3)29-34(30-41(43)52-4)42(32-13-6-5-7-14-32)44(47)46-22-9-8-17-36(46)45(48)56-37/h10-12,15-16,19,21,27-30,32,36-37,42H,5-9,13-14,17-18,20,22-26H2,1-4H3/b11-10-/t36-,37+,42-/m0/s1 | | 定義日: | 2020-08-27 | | 最終更新日: | 2021-03-12 | | 公開日: | 2021-03-17 |
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 | | NM1 | | 表記: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE | | 組成式: | C34 H37 N3 O7 S | | SMILES: | O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5 | | InChi: | InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1 | | 別名: | AHA047 | | 定義日: | 2000-10-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide |
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 | | PDK | | 表記: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide | | 組成式: | C47 H87 N4 O17 P | | SMILES: | O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | | InChi: | InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1 | | 別名: | PE-DTPA | | 定義日: | 2009-09-30 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide |
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 | | PJV | | 表記: | 3-(2-bromophenoxy)pyridazine | | 組成式: | C10 H7 Br N2 O | | SMILES: | c1(Br)ccccc1Oc2cccnn2 | | InChi: | InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H | | 定義日: | 2019-08-12 | | 最終更新日: | 2020-10-02 | | 公開日: | 2020-10-07 | | 識別子（ID）: | 3-(2-bromophenoxy)pyridazine |
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 | | N8Q | | 表記: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione | | 組成式: | C12 H14 N4 O S | | SMILES: | S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3 | | InChi: | InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1 | | 定義日: | 2019-11-15 | | 最終更新日: | 2020-08-21 | | 公開日: | 2020-08-26 | | 識別子（ID）: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione |
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 | | F4O | | 表記: | 6-methoxy-streptovaricin C | | 組成式: | C40 H53 N O14 | | SMILES: | COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O | | InChi: | InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1 | | 定義日: | 2020-03-24 | | 最終更新日: | 2020-08-07 | | 公開日: | 2020-08-12 |
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