![B0O B0O](https://data.pdbj.org/pdbjplus/data/cc/svg/B0O.svg) | B0O | 表記: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one | 組成式: | C22 H25 N O2 | SMILES: | C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C | InChi: | InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1 | 定義日: | 2018-12-21 | 最終更新日: | 2019-07-12 | 公開日: | 2019-07-17 | 識別子(ID): | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one |
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![PD9 PD9](https://data.pdbj.org/pdbjplus/data/cc/svg/PD9.svg) | PD9 | 表記: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide | 組成式: | C14 H15 N3 O5 | SMILES: | CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N | InChi: | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ | 定義日: | 2015-10-30 | 最終更新日: | 2019-07-05 | 公開日: | 2019-07-10 | 識別子(ID): | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide |
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![CV9 CV9](https://data.pdbj.org/pdbjplus/data/cc/svg/CV9.svg) | CV9 | 表記: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one | 組成式: | C49 H71 N O12 | SMILES: | CO[CH]1C[CH](O)C=CC=CC=C[CH](C)[CH](OC(=O)C=CC=CC=CC(=C[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH](OC)[CH]2OC)C=CC=Cc3coc(n3)[CH]1C)C)[CH](C)[CH](O)C[CH](C)O | InChi: | InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19-,24-17+,25-20+,26-18-,31-27+/t32-,33+,34-,35-,36+,37+,39+,40-,41-,42+,44+,45+,46-,47+,49-/m0/s1 | 定義日: | 2019-02-19 | 最終更新日: | 2019-06-28 | 公開日: | 2019-07-03 | 識別子(ID): | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one |
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![KFY KFY](https://data.pdbj.org/pdbjplus/data/cc/svg/KFY.svg) | KFY | 表記: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine | 組成式: | C19 H23 N5 O3 | SMILES: | c12ncnc(c1nc(n2CC=CC)Cc3cc(OC)c(OC)c(c3)OC)N | InChi: | InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+ | 定義日: | 2018-12-03 | 最終更新日: | 2019-06-28 | 公開日: | 2019-07-03 | 識別子(ID): | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine |
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![N9V N9V](https://data.pdbj.org/pdbjplus/data/cc/svg/N9V.svg) | N9V | 表記: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) | 組成式: | C26 H40 N7 O19 P3 S | SMILES: | CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O | InChi: | InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1 | 定義日: | 2019-05-10 | 最終更新日: | 2019-06-21 | 公開日: | 2019-06-26 | 識別子(ID): | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) |
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![EH2 EH2](https://data.pdbj.org/pdbjplus/data/cc/svg/EH2.svg) | EH2 | 表記: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid | 組成式: | C13 H10 O2 S | SMILES: | OC(=O)c1ccccc1C=Cc2sccc2 | InChi: | InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+ | 定義日: | 2018-03-22 | 最終更新日: | 2019-06-21 | 公開日: | 2019-06-26 | 識別子(ID): | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid |
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![9P3 9P3](https://data.pdbj.org/pdbjplus/data/cc/svg/9P3.svg) | 9P3 | 表記: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol | 組成式: | C19 H24 N4 O11 P | SMILES: | C2=4N(c1cc(C)c(C)cc1[N+]3(C2(O3)C(=O)NC(N=4)=O)C(C)=O)CC(C(C(O)COP(O)(O)=O)O)O | InChi: | InChI=1S/C19H23N4O11P/c1-8-4-11-12(5-9(8)2)23(10(3)24)19(34-23)16(20-18(29)21-17(19)28)22(11)6-13(25)15(27)14(26)7-33-35(30,31)32/h4-5,13-15,25-27H,6-7H2,1-3H3,(H2-,21,28,29,30,31,32)/p+1/t13-,14+,15-,19+,23+/m0/s1 | 定義日: | 2018-06-15 | 最終更新日: | 2019-06-14 | 公開日: | 2019-06-19 | 識別子(ID): | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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![B8C B8C](https://data.pdbj.org/pdbjplus/data/cc/svg/B8C.svg) | B8C | 表記: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid | 組成式: | C21 H25 N4 O15 P | SMILES: | Cc1cc2N[C]3(OC(C(O)=O)=C(O)C(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | InChi: | InChI=1S/C21H25N4O15P/c1-7-3-9-10(4-8(7)2)25(5-11(26)13(28)12(27)6-39-41(36,37)38)18-21(24-9,19(34)23-20(35)22-18)40-15(17(32)33)14(29)16(30)31/h3-4,11-13,24,26-29H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,23,34,35)(H2,36,37,38)/b15-14+/t11-,12-,13-,21-/m0/s1 | 定義日: | 2019-01-21 | 最終更新日: | 2019-06-14 | 公開日: | 2019-06-19 | 識別子(ID): | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid |
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![7YC 7YC](https://data.pdbj.org/pdbjplus/data/cc/svg/7YC.svg) | 7YC | 表記: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile | 組成式: | C14 H13 N3 O6 | SMILES: | Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O | InChi: | InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+ | 定義日: | 2017-02-09 | 最終更新日: | 2019-06-14 | 公開日: | 2019-06-19 | 識別子(ID): | (~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile |
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![UCZ UCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UCZ.svg) | UCZ | 表記: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol | 組成式: | C15 H18 Cl N3 O | SMILES: | CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O | InChi: | InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1 | 定義日: | 2018-06-13 | 最終更新日: | 2019-06-07 | 公開日: | 2019-06-12 | 識別子(ID): | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol |
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![A0R A0R](https://data.pdbj.org/pdbjplus/data/cc/svg/A0R.svg) | A0R | 表記: | 2',4'-dihydroxy-2-methoxychalcone | 組成式: | C16 H14 O4 | SMILES: | COc1ccccc1C=CC(=O)c2ccc(O)cc2O | InChi: | InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+ | 定義日: | 2018-09-12 | 最終更新日: | 2019-06-07 | 公開日: | 2019-06-12 | 識別子(ID): | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one |
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![6R2 6R2](https://data.pdbj.org/pdbjplus/data/cc/svg/6R2.svg) | 6R2 | 表記: | [bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid | 組成式: | C16 H28 Cl2 O6 P2 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O | InChi: | InChI=1S/C16H28Cl2O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-26(22,23)16(17,18)25(19,20)21/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,22,23)(H2,19,20,21)/b14-9+,15-11+ | 定義日: | 2016-06-21 | 最終更新日: | 2019-06-07 | 公開日: | 2019-06-12 | 識別子(ID): | [bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid |
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![9FX 9FX](https://data.pdbj.org/pdbjplus/data/cc/svg/9FX.svg) | 9FX | 表記: | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide | 組成式: | C16 H11 F N4 O2 S | SMILES: | c1(ncccn1)Sc2oc(cc2)C=NNC(c3cccc(c3)F)=O | InChi: | InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+ | 定義日: | 2018-04-11 | 最終更新日: | 2019-05-30 | 公開日: | 2019-06-05 | 識別子(ID): | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide |
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![YAZ YAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YAZ.svg) | YAZ | 表記: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid | 組成式: | C9 H7 Cl O3 | SMILES: | C(=O)(O)C=Cc1cc(Cl)c(cc1)O | InChi: | InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+ | 定義日: | 2018-09-19 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid |
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![YYZ YYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YYZ.svg) | YYZ | 表記: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid | 組成式: | C9 H6 Cl2 O3 | SMILES: | C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O | InChi: | InChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+ | 定義日: | 2018-09-18 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid |
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![LND LND](https://data.pdbj.org/pdbjplus/data/cc/svg/LND.svg) | LND | 表記: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium | 組成式: | C13 H16 N5 O2 | SMILES: | c1[n+](ccc(c1)C(N)=O)CCCn2c(ncc2)C=NO | InChi: | InChI=1S/C13H15N5O2/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)/p+1 | 定義日: | 2019-03-05 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium |
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![EWE EWE](https://data.pdbj.org/pdbjplus/data/cc/svg/EWE.svg) | EWE | 表記: | [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium | 組成式: | C19 H23 N5 O6 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O | InChi: | InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1 | 定義日: | 2018-04-27 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium |
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![ONC ONC](https://data.pdbj.org/pdbjplus/data/cc/svg/ONC.svg) | ONC | 表記: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one | 組成式: | C24 H24 N4 O | SMILES: | Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O | InChi: | InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3 | 定義日: | 2018-06-03 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one |
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![BQ9 BQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ9.svg) | BQ9 | 表記: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate | 組成式: | C29 H50 O5 | SMILES: | C(=O)(CCCC=CCC=[C@H]C[C@H]=CCC)OC(CO)COC(CCCCCCCCCCC)=O | InChi: | InChI=1S/C29H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h5,7,11,13,16,18,27,30H,3-4,6,8-10,12,14-15,17,19-26H2,1-2H3/b7-5+,13-11+,18-16+/t27-/m1/s1 | 定義日: | 2019-02-28 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate |
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![GE5 GE5](https://data.pdbj.org/pdbjplus/data/cc/svg/GE5.svg) | GE5 | 表記: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide | 組成式: | C31 H26 F N5 O3 S | SMILES: | COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(N=Nc4ccccc4)nc3c5ccc(F)cc5)c1 | InChi: | InChI=1S/C31H26FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19H,10,15H2,1-2H3,(H,33,34,38)/b37-36+ | 定義日: | 2018-09-13 | 最終更新日: | 2019-04-12 | 公開日: | 2019-04-17 | 識別子(ID): | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide |
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![GEW GEW](https://data.pdbj.org/pdbjplus/data/cc/svg/GEW.svg) | GEW | 表記: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide | 組成式: | C32 H28 F2 N6 O3 | SMILES: | COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3n(C)c(N=Nc4ccc(F)cc4)nc3c5ccc(F)cc5)c1 | InChi: | InChI=1S/C32H28F2N6O3/c1-40-31(30(20-4-7-23(33)8-5-20)37-32(40)39-38-25-11-9-24(34)10-12-25)22-16-17-35-28(19-22)36-29(41)15-6-21-18-26(42-2)13-14-27(21)43-3/h4-5,7-14,16-19H,6,15H2,1-3H3,(H,35,36,41)/b39-38+ | 定義日: | 2018-09-13 | 最終更新日: | 2019-04-12 | 公開日: | 2019-04-17 | 識別子(ID): | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide |
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![D29 D29](https://data.pdbj.org/pdbjplus/data/cc/svg/D29.svg) | D29 | 表記: | (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol | 組成式: | C13 H11 F6 N O S2 | SMILES: | FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F | InChi: | InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1 | 定義日: | 2018-04-25 | 最終更新日: | 2019-04-12 | 公開日: | 2019-04-17 | 識別子(ID): | (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol |
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![GUJ GUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GUJ.svg) | GUJ | 表記: | 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine | 組成式: | C17 H17 N3 O S | SMILES: | c3(nnc4COCc1c(sc(c1Cc2ccccc2)C)n34)C | InChi: | InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3 | 定義日: | 2018-06-01 | 最終更新日: | 2019-04-12 | 公開日: | 2019-04-17 | 識別子(ID): | 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine |
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![C0X C0X](https://data.pdbj.org/pdbjplus/data/cc/svg/C0X.svg) | C0X | 表記: | (2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid | 組成式: | C20 H35 O7 P | SMILES: | CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O | InChi: | InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13+/t19-/m0/s1 | 定義日: | 2019-04-04 | 最終更新日: | 2019-04-12 | 公開日: | 2019-04-17 | 識別子(ID): | (2~{S})-3-dimethoxyphosphoryloxy-2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid |
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![9S6 9S6](https://data.pdbj.org/pdbjplus/data/cc/svg/9S6.svg) | 9S6 | 表記: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol | 組成式: | C30 H36 N2 O2 | SMILES: | CC(C)N1CCN(CC1)c2ccc(cc2)C(c3cccc(O)c3)=C(CCCO)c4ccccc4 | InChi: | InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | 定義日: | 2018-07-05 | 最終更新日: | 2019-04-05 | 公開日: | 2019-04-10 | 識別子(ID): | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol |
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