![5B6 5B6](https://data.pdbj.org/pdbjplus/data/cc/svg/5B6.svg) | 5B6 | 表記: | [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | 組成式: | C19 H19 N4 O6 P | SMILES: | OP(OCc1cnc(c(c1CN=Cc2cc(cc(n2)c3ccccn3)O)O)C)(O)=O | InChi: | InChI=1S/C19H19N4O6P/c1-12-19(25)16(13(8-22-12)11-29-30(26,27)28)10-20-9-14-6-15(24)7-18(23-14)17-4-2-3-5-21-17/h2-9,25H,10-11H2,1H3,(H,23,24)(H2,26,27,28)/b20-9+ | 定義日: | 2015-09-01 | 最終更新日: | 2016-08-05 | 公開日: | 2016-08-10 | 識別子(ID): | [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
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![5OG 5OG](https://data.pdbj.org/pdbjplus/data/cc/svg/5OG.svg) | 5OG | 表記: | Belinostat | 組成式: | C15 H14 N2 O4 S | SMILES: | ONC(=O)C=Cc1cccc(c1)[S](=O)(=O)Nc2ccccc2 | InChi: | InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | 定義日: | 2015-10-29 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | (~{E})-~{N}-oxidanyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide |
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![5OK 5OK](https://data.pdbj.org/pdbjplus/data/cc/svg/5OK.svg) | 5OK | 表記: | Oxamflatin | 組成式: | C17 H14 N2 O4 S | SMILES: | ONC(=O)C=CC#Cc1cccc(N[S](=O)(=O)c2ccccc2)c1 | InChi: | InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+ | 定義日: | 2015-10-29 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | (~{E})-~{N}-oxidanyl-5-[3-(phenylsulfonylamino)phenyl]pent-2-en-4-ynamide |
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![LBH LBH](https://data.pdbj.org/pdbjplus/data/cc/svg/LBH.svg) | LBH | 表記: | Panobinostat | 組成式: | C21 H23 N3 O2 | SMILES: | Cc1[nH]c2ccccc2c1CCNCc3ccc(C=CC(=O)NO)cc3 | InChi: | InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | 定義日: | 2015-10-29 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | (~{E})-3-[4-[[2-(2-methyl-1~{H}-indol-3-yl)ethylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide |
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![6DF 6DF](https://data.pdbj.org/pdbjplus/data/cc/svg/6DF.svg) | 6DF | 表記: | [6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | 組成式: | C16 H19 N2 O5 P | SMILES: | C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2ccccc2 | InChi: | InChI=1S/C16H19N2O5P/c1-11(13-6-4-3-5-7-13)18-9-15-14(10-23-24(20,21)22)8-17-12(2)16(15)19/h3-9,11,19H,10H2,1-2H3,(H2,20,21,22)/b18-9+/t11-/m1/s1 | 定義日: | 2016-03-18 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | [6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
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![H7Y H7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/H7Y.svg) | H7Y | 表記: | ISOEUGENOL | 組成式: | C10 H12 O2 | SMILES: | COc1cc(C=CC)ccc1O | InChi: | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ | 定義日: | 2016-03-01 | 最終更新日: | 2016-07-22 | 公開日: | 2016-07-27 | 識別子(ID): | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
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![6OP 6OP](https://data.pdbj.org/pdbjplus/data/cc/svg/6OP.svg) | 6OP | 表記: | 1-[(5E)-5,6-dideoxy-2-O-(2-methoxyethyl)-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione | 組成式: | C14 H21 N2 O9 P | SMILES: | P(O)(O)(=O)C=[C@H]C1C(O)C(OCCOC)C(O1)N2C=C(C(NC2=O)=O)C | InChi: | InChI=1S/C14H21N2O9P/c1-8-7-16(14(19)15-12(8)18)13-11(24-5-4-23-2)10(17)9(25-13)3-6-26(20,21)22/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,15,18,19)(H2,20,21,22)/b6-3+/t9-,10-,11-,13-/m1/s1 | 定義日: | 2016-05-13 | 最終更新日: | 2016-07-15 | 公開日: | 2016-07-20 | 識別子(ID): | 1-[(5E)-5,6-dideoxy-2-O-(2-methoxyethyl)-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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![5A7 5A7](https://data.pdbj.org/pdbjplus/data/cc/svg/5A7.svg) | 5A7 | 表記: | {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid | 組成式: | C23 H19 N2 O4 P | SMILES: | O=P(O)([C@H]=[C@H]c2ccc1cc(cc(c1n2)c3cccc4ccccc34)NC(C)=O)O | InChi: | InChI=1S/C23H19N2O4P/c1-15(26)24-19-13-17-9-10-18(11-12-30(27,28)29)25-23(17)22(14-19)21-8-4-6-16-5-2-3-7-20(16)21/h2-14H,1H3,(H,24,26)(H2,27,28,29)/b12-11+ | 定義日: | 2015-08-29 | 最終更新日: | 2016-07-08 | 公開日: | 2016-07-13 | 識別子(ID): | {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid |
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![X3H X3H](https://data.pdbj.org/pdbjplus/data/cc/svg/X3H.svg) | X3H | 表記: | PIRONETIN | 組成式: | C19 H34 O4 | SMILES: | CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC | InChi: | InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1 | 定義日: | 2015-11-17 | 最終更新日: | 2016-07-05 | 公開日: | 2016-05-18 | 識別子(ID): | (5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one |
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![H27 H27](https://data.pdbj.org/pdbjplus/data/cc/svg/H27.svg) | H27 | 表記: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid | 組成式: | C34 H42 N4 O12 S2 | SMILES: | c2c(S(N(/C=C/NC(NC1C(C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)O1)NC(=O)C)=S)C(C(O)=O)C(C)C)(=O)=O)ccc(c2)c3ccccc3 | InChi: | InChI=1S/C34H42N4O12S2/c1-19(2)29(33(43)44)38(52(45,46)26-14-12-25(13-15-26)24-10-8-7-9-11-24)17-16-35-34(51)37-32-28(36-20(3)39)31(49-23(6)42)30(48-22(5)41)27(50-32)18-47-21(4)40/h7-17,19,27-32H,18H2,1-6H3,(H,36,39)(H,43,44)(H2,35,37,51)/b17-16+/t27-,28-,29-,30-,31-,32-/m1/s1 | 定義日: | 2016-02-27 | 最終更新日: | 2016-07-01 | 公開日: | 2016-07-06 | 識別子(ID): | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) |
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![ZGR ZGR](https://data.pdbj.org/pdbjplus/data/cc/svg/ZGR.svg) | ZGR | 表記: | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid | 組成式: | C18 H24 O6 | SMILES: | c1(C(=O)O)c(O)cc(cc1C=CCCCC(=O)CCCC(C)O)O | InChi: | InChI=1S/C18H24O6/c1-12(19)6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)24/h3,7,10-12,19,21-22H,2,4-6,8-9H2,1H3,(H,23,24)/b7-3+/t12-/m0/s1 | 定義日: | 2015-07-01 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid |
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![ZFR ZFR](https://data.pdbj.org/pdbjplus/data/cc/svg/ZFR.svg) | ZFR | 表記: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one | 組成式: | C17 H24 O4 | SMILES: | c1c(O)cc(cc1C=CCCCC(=O)CCCC(O)C)O | InChi: | InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1 | 定義日: | 2015-06-29 | 最終更新日: | 2016-06-24 | 公開日: | 2016-06-29 | 識別子(ID): | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one |
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![6NL 6NL](https://data.pdbj.org/pdbjplus/data/cc/svg/6NL.svg) | 6NL | 表記: | (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one | 組成式: | C19 H18 O6 | SMILES: | COc1c(O)cc(cc1)[C@H]=C(C)C(=O)c2cc(c3c(c2)OCO3)OC | InChi: | InChI=1S/C19H18O6/c1-11(6-12-4-5-15(22-2)14(20)7-12)18(21)13-8-16(23-3)19-17(9-13)24-10-25-19/h4-9,20H,10H2,1-3H3/b11-6+ | 定義日: | 2016-05-11 | 最終更新日: | 2016-06-03 | 公開日: | 2016-06-08 | 識別子(ID): | (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one |
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![FNX FNX](https://data.pdbj.org/pdbjplus/data/cc/svg/FNX.svg) | FNX | 表記: | (4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde | 組成式: | C15 H16 N6 O2 | SMILES: | O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N | InChi: | InChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1 | 定義日: | 2016-04-06 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | (4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde |
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![LTD LTD](https://data.pdbj.org/pdbjplus/data/cc/svg/LTD.svg) | LTD | 表記: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid | 組成式: | C25 H40 N2 O6 S | SMILES: | CCCCCC=CCC=CC=CC=C[CH](SC[CH](N)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O | InChi: | InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1 | 定義日: | 2016-01-04 | 最終更新日: | 2016-05-06 | 公開日: | 2016-05-11 | 識別子(ID): | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid |
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![4UU 4UU](https://data.pdbj.org/pdbjplus/data/cc/svg/4UU.svg) | 4UU | 表記: | 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine | 組成式: | C19 H20 N5 O9 P | SMILES: | c4nc3n(C2C(C(C(COP(OC(=O)[C@H]=CC1=CCC(C=C1)=O)(O)=O)O2)O)O)cnc3c(n4)N | InChi: | InChI=1S/C19H20N5O9P/c20-17-14-18(22-8-21-17)24(9-23-14)19-16(28)15(27)12(32-19)7-31-34(29,30)33-13(26)6-3-10-1-4-11(25)5-2-10/h1-4,6,8-9,12,15-16,19,27-28H,5,7H2,(H,29,30)(H2,20,21,22)/b6-3+/t12-,15-,16-,19-/m1/s1 | 定義日: | 2015-06-02 | 最終更新日: | 2016-05-06 | 公開日: | 2016-05-11 | 識別子(ID): | 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine |
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![4UV 4UV](https://data.pdbj.org/pdbjplus/data/cc/svg/4UV.svg) | 4UV | 表記: | 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine | 組成式: | C19 H18 N5 O10 P | SMILES: | OP(OC([C@H]=CC=1C=CC(=O)C(C=1)=O)=O)(OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)=O | InChi: | InChI=1S/C19H18N5O10P/c20-17-14-18(22-7-21-17)24(8-23-14)19-16(29)15(28)12(33-19)6-32-35(30,31)34-13(27)4-2-9-1-3-10(25)11(26)5-9/h1-5,7-8,12,15-16,19,28-29H,6H2,(H,30,31)(H2,20,21,22)/b4-2+/t12-,15-,16-,19-/m1/s1 | 定義日: | 2015-06-02 | 最終更新日: | 2016-05-06 | 公開日: | 2016-05-11 | 識別子(ID): | 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine |
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![4UW 4UW](https://data.pdbj.org/pdbjplus/data/cc/svg/4UW.svg) | 4UW | 表記: | 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine | 組成式: | C20 H22 N5 O10 P | SMILES: | n2c(c1ncn(c1nc2)C4OC(COP(=O)(OC([C@H]=CC3=CCC(=O)C(OC)=C3)=O)O)C(C4O)O)N | InChi: | InChI=1S/C20H22N5O10P/c1-32-12-6-10(2-4-11(12)26)3-5-14(27)35-36(30,31)33-7-13-16(28)17(29)20(34-13)25-9-24-15-18(21)22-8-23-19(15)25/h2-3,5-6,8-9,13,16-17,20,28-29H,4,7H2,1H3,(H,30,31)(H2,21,22,23)/b5-3+/t13-,16-,17-,20-/m1/s1 | 定義日: | 2015-06-02 | 最終更新日: | 2016-05-06 | 公開日: | 2016-05-11 | 識別子(ID): | 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine |
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![5G3 5G3](https://data.pdbj.org/pdbjplus/data/cc/svg/5G3.svg) | 5G3 | 表記: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | 組成式: | C19 H14 Cl N O3 | SMILES: | Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(Cl)cccc2)cc3 | InChi: | InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+ | 定義日: | 2015-09-22 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol |
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![5G4 5G4](https://data.pdbj.org/pdbjplus/data/cc/svg/5G4.svg) | 5G4 | 表記: | 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol | 組成式: | C20 H17 N O3 | SMILES: | Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(C)cccc2)cc3 | InChi: | InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+ | 定義日: | 2015-09-22 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol |
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![5HX 5HX](https://data.pdbj.org/pdbjplus/data/cc/svg/5HX.svg) | 5HX | 表記: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | 組成式: | C22 H24 O | SMILES: | C1C2CCCC(CC1)/C2=C(c3ccc(O)cc3)c4ccccc4 | InChi: | InChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+ | 定義日: | 2015-09-28 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol |
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![5J0 5J0](https://data.pdbj.org/pdbjplus/data/cc/svg/5J0.svg) | 5J0 | 表記: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol | 組成式: | C22 H24 O2 | SMILES: | C1CCC2CCCC1C/2=C(/c3cccc(c3)O)c4ccc(cc4)O | InChi: | InChI=1S/C22H24O2/c23-19-12-10-17(11-13-19)22(18-8-3-9-20(24)14-18)21-15-4-1-5-16(21)7-2-6-15/h3,8-16,23-24H,1-2,4-7H2/b22-21-/t15-,16+ | 定義日: | 2015-09-28 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol |
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![5J2 5J2](https://data.pdbj.org/pdbjplus/data/cc/svg/5J2.svg) | 5J2 | 表記: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | 組成式: | C19 H14 F N O3 | SMILES: | Oc1ccc(cc1)C(=N/c2ccc(F)cc2)c3c(cc(cc3)O)O | InChi: | InChI=1S/C19H14FNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+ | 定義日: | 2015-09-28 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol |
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![6FS 6FS](https://data.pdbj.org/pdbjplus/data/cc/svg/6FS.svg) | 6FS | 表記: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | 組成式: | C21 H25 N O8 S | SMILES: | c1c(cc(c(c1OC)C=CS(Cc2ccc(c(c2)NCC(O)=O)OC)(=O)=O)OC)OC | InChi: | InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+ | 定義日: | 2016-03-31 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine |
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![6L0 6L0](https://data.pdbj.org/pdbjplus/data/cc/svg/6L0.svg) | 6L0 | 表記: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone | 組成式: | C27 H46 N6 O9 | SMILES: | C1CC(NCCCCCN(C(CCC(=O)NCCC=CCN(C(CCC(=O)NCCCCCN(C1=O)O)=O)O)=O)O)=O | InChi: | InChI=1S/C27H46N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h1,7,40-42H,2-6,8-21H2,(H,28,34)(H,29,35)(H,30,36)/b7-1+ | 定義日: | 2016-04-25 | 最終更新日: | 2016-04-29 | 公開日: | 2016-05-04 | 識別子(ID): | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone |
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