![GZH GZH](https://data.pdbj.org/pdbjplus/data/cc/svg/GZH.svg) | GZH | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea | Formula: | C16 H15 Cl F3 N3 O3 S | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 | InChi: | InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24) | Definition date: | 2018-10-26 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea |
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![KC4 KC4](https://data.pdbj.org/pdbjplus/data/cc/svg/KC4.svg) | KC4 | Name: | N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | Formula: | C22 H24 F3 N3 O4 | SMILES: | C2(CCC(NC(=O)Nc1ccc(cc1)OC(F)(F)F)CC2)Oc3ccc(C(NC)=O)cc3 | InChi: | InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18- | Definition date: | 2018-11-19 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide |
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![H0W H0W](https://data.pdbj.org/pdbjplus/data/cc/svg/H0W.svg) | H0W | Name: | 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide | Formula: | C40 H37 Cl2 N7 O3 | SMILES: | C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)c8ccc(Cl)cc8 | InChi: | InChI=1S/C40H37Cl2N7O3/c1-25(26-10-12-28(41)13-11-26)49-24-44-35(27-7-3-2-4-8-27)37(49)34-31-15-14-29(42)23-33(31)45-36(34)39(50)46-32-9-5-18-43-38(32)47-20-16-30(17-21-47)48-19-6-22-52-40(48)51/h2-5,7-15,18,23-25,30,45H,6,16-17,19-22H2,1H3,(H,46,50)/t25-/m0/s1 | Definition date: | 2018-11-01 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide |
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![KDS KDS](https://data.pdbj.org/pdbjplus/data/cc/svg/KDS.svg) | KDS | Name: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide | Formula: | C23 H22 F3 N3 O2 | SMILES: | c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F | InChi: | InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30) | Definition date: | 2018-11-26 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
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![H1Z H1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H1Z.svg) | H1Z | Name: | 4-butoxybenzenesulfonamide | Formula: | C10 H15 N O3 S | SMILES: | CCCCOc1ccc(cc1)[S](N)(=O)=O | InChi: | InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13) | Definition date: | 2018-11-05 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 4-butoxybenzenesulfonamide |
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![H3B H3B](https://data.pdbj.org/pdbjplus/data/cc/svg/H3B.svg) | H3B | Name: | 3-trimethylsilylpropane-1-sulfonic acid | Formula: | C6 H16 O3 S Si | SMILES: | C[Si](C)(C)CCC[S](O)(=O)=O | InChi: | InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9) | Definition date: | 2018-11-12 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-trimethylsilylpropane-1-sulfonic acid |
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![H4N H4N](https://data.pdbj.org/pdbjplus/data/cc/svg/H4N.svg) | H4N | Name: | 5-bromanyl-1~{H}-indole | Formula: | C8 H6 Br N | SMILES: | Brc1ccc2[nH]ccc2c1 | InChi: | InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H | Definition date: | 2018-11-15 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 5-bromanyl-1~{H}-indole |
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![KJ1 KJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/KJ1.svg) | KJ1 | Name: | N-(8-amino-8-oxooctyl)nonanamide | Formula: | C17 H34 N2 O2 | SMILES: | C(CNC(CCCCCCCC)=O)CCCCCC(=O)N | InChi: | InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21) | Definition date: | 2018-12-10 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-(8-amino-8-oxooctyl)nonanamide |
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![MKP MKP](https://data.pdbj.org/pdbjplus/data/cc/svg/MKP.svg) | MKP | Name: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide | Formula: | C21 H21 N5 O3 | SMILES: | c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O | InChi: | InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27) | Definition date: | 2019-04-08 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide |
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![QCV QCV](https://data.pdbj.org/pdbjplus/data/cc/svg/QCV.svg) | QCV | Name: | N-(4-nitrophenyl)methanimine | Formula: | C7 H6 N2 O2 | SMILES: | C=Nc1ccc(cc1)N(=O)=O | InChi: | InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2 | Definition date: | 2019-10-16 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-(4-nitrophenyl)methanimine |
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![QL7 QL7](https://data.pdbj.org/pdbjplus/data/cc/svg/QL7.svg) | QL7 | Name: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C24 H27 F N6 O4 | SMILES: | C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5 | InChi: | InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1 | Definition date: | 2019-11-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![HJB HJB](https://data.pdbj.org/pdbjplus/data/cc/svg/HJB.svg) | HJB | Name: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid | Formula: | C10 H12 B O5 | SMILES: | OC(=O)CCc1cccc2CO[B-](O)(O)c12 | InChi: | InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1 | Definition date: | 2018-12-07 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid |
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![HLH HLH](https://data.pdbj.org/pdbjplus/data/cc/svg/HLH.svg) | HLH | Name: | 2-heptyl-1~{H}-quinolin-4-one | Formula: | C16 H21 N O | SMILES: | CCCCCCCC1=CC(=O)c2ccccc2N1 | InChi: | InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) | Definition date: | 2018-12-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 2-heptyl-1~{H}-quinolin-4-one |
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![HLK HLK](https://data.pdbj.org/pdbjplus/data/cc/svg/HLK.svg) | HLK | Name: | ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine | Formula: | C13 H11 F4 N3 | SMILES: | Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F | InChi: | InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20) | Definition date: | 2018-12-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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![HLQ HLQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HLQ.svg) | HLQ | Name: | ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine | Formula: | C15 H15 F4 N3 | SMILES: | Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F | InChi: | InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22) | Definition date: | 2018-12-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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![CQO CQO](https://data.pdbj.org/pdbjplus/data/cc/svg/CQO.svg) | CQO | Name: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine | Formula: | C18 H20 N2 O2 S | SMILES: | COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 | InChi: | InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3 | Definition date: | 2019-05-14 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine |
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![GV7 GV7](https://data.pdbj.org/pdbjplus/data/cc/svg/GV7.svg) | GV7 | Name: | 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol | Formula: | C12 H11 N5 O | SMILES: | n12c(cc(C)nc1ncn2)Nc3ccc(O)cc3 | InChi: | InChI=1S/C12H11N5O/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(18)5-3-9/h2-7,16,18H,1H3 | Definition date: | 2018-06-01 | Last modified: | 2019-11-12 | Release date: | 2019-04-10 | Identifier: | 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol |
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![FOZ FOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FOZ.svg) | FOZ | Name: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-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)N=C(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 | Definition date: | 2011-09-12 | Last modified: | 2019-11-12 | Identifier: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid |
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![M8Z M8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/M8Z.svg) | M8Z | Name: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide | Formula: | C24 H30 N8 O | SMILES: | CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(c1)C(C)(C)C#N | InChi: | InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | Definition date: | 2019-10-08 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide |
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![M92 M92](https://data.pdbj.org/pdbjplus/data/cc/svg/M92.svg) | M92 | Name: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide | Formula: | C21 H31 N7 O | SMILES: | CC(C)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(n1)C(C)C | InChi: | InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | Definition date: | 2019-10-08 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide |
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![K8D K8D](https://data.pdbj.org/pdbjplus/data/cc/svg/K8D.svg) | K8D | Name: | 4-(methylamino)benzene-1,2-dicarboxylic acid | Formula: | C9 H9 N O4 | SMILES: | c1(cc(NC)ccc1C(O)=O)C(O)=O | InChi: | InChI=1S/C9H9NO4/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) | Definition date: | 2018-11-08 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-(methylamino)benzene-1,2-dicarboxylic acid |
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![K8G K8G](https://data.pdbj.org/pdbjplus/data/cc/svg/K8G.svg) | K8G | Name: | 4-nitrobenzene-1,2-dicarboxylic acid | Formula: | C8 H5 N O6 | SMILES: | C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O | InChi: | InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) | Definition date: | 2018-11-08 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-nitrobenzene-1,2-dicarboxylic acid |
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![K8J K8J](https://data.pdbj.org/pdbjplus/data/cc/svg/K8J.svg) | K8J | Name: | 4-fluorobenzene-1,2-dicarboxylic acid | Formula: | C8 H5 F O4 | SMILES: | c1(cc(ccc1C(O)=O)F)C(O)=O | InChi: | InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13) | Definition date: | 2018-11-08 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-fluorobenzene-1,2-dicarboxylic acid |
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![NJS NJS](https://data.pdbj.org/pdbjplus/data/cc/svg/NJS.svg) | NJS | Name: | Itaconyl coenzyme A | Formula: | C26 H42 N7 O19 P3 S | SMILES: | C/C(C(=O)O)=C/C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O | InChi: | InChI=1S/C26H42N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14-15,18-20,24,28,34,36-37H,4-7,9-10H2,1-3H3,(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8-/t14-,15+,18-,19-,20+,24-/m1/s1 | Definition date: | 2019-05-14 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 5'-O-[(S)-{[(S)-[(3R)-4-({(3S)-3-[(2-{[(2Z)-3-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxypropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) |
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![KAY KAY](https://data.pdbj.org/pdbjplus/data/cc/svg/KAY.svg) | KAY | Name: | 4-methylbenzene-1,2-dicarboxylic acid | Formula: | C9 H8 O4 | SMILES: | C(c1cc(C)ccc1C(O)=O)(O)=O | InChi: | InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) | Definition date: | 2018-11-16 | Last modified: | 2019-11-08 | Release date: | 2019-11-13 | Identifier: | 4-methylbenzene-1,2-dicarboxylic acid |
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