![5KS 5KS](https://data.pdbj.org/pdbjplus/data/cc/svg/5KS.svg) | 5KS | Name: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside | Formula: | C28 H30 F2 N6 O8 S | SMILES: | C(C4C(O)C(C(O)C(SC1C(O)C(C(C(O1)CO)O)n3nnc(c2ccc(F)cc2)c3)O4)n5cc(nn5)c6ccc(F)cc6)O | InChi: | InChI=1S/C28H30F2N6O8S/c29-15-5-1-13(2-6-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-3-7-16(30)8-4-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1 | Definition date: | 2015-10-14 | Last modified: | 2016-08-18 | Release date: | 2016-08-23 | Identifier: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside |
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![5KT 5KT](https://data.pdbj.org/pdbjplus/data/cc/svg/5KT.svg) | 5KT | Name: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside | Formula: | C24 H28 N6 O8 S3 | SMILES: | C(C4C(O)C(C(O)C(SC1C(O)C(C(C(O1)CO)O)n2cc(nn2)c3ccsc3)O4)n5cc(nn5)c6cscc6)O | InChi: | InChI=1S/C24H28N6O8S3/c31-7-15-19(33)17(29-5-13(25-27-29)11-1-3-39-9-11)21(35)23(37-15)41-24-22(36)18(20(34)16(8-32)38-24)30-6-14(26-28-30)12-2-4-40-10-12/h1-6,9-10,15-24,31-36H,7-8H2/t15-,16-,17+,18+,19+,20+,21-,22-,23+,24+/m1/s1 | Definition date: | 2015-10-14 | Last modified: | 2016-08-18 | Release date: | 2016-08-23 | Identifier: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside |
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![HP5 HP5](https://data.pdbj.org/pdbjplus/data/cc/svg/HP5.svg) | HP5 | Name: | Peroxidized Heme Form 2 | Formula: | C34 H32 Fe N4 O6 | SMILES: | OOC(c3c(c2C=C1C(=C(CCC(=O)O)C7=N1[Fe]46n2c3C=C5N4=C(C(=C5C)[C@H]=C)C=C8N6C(=C7)C(=C8C)CCC(O)=O)C)C)=C | InChi: | InChI=1S/C34H34N4O6.Fe/c1-7-21-16(2)26-14-31-34(20(6)44-43)19(5)27(38-31)12-24-17(3)22(8-10-32(39)40)29(36-24)15-30-23(9-11-33(41)42)18(4)25(37-30)13-28(21)35-26 | Definition date: | 2016-08-10 | Last modified: | 2016-08-18 | Release date: | 2016-08-23 | Identifier: | {3,3'-[7-ethenyl-12-(1-hydroperoxyethenyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]di(propanoato)(2-)}iron |
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![ZMP ZMP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMP.svg) | ZMP | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate | Formula: | C25 H49 N2 O8 P S | SMILES: | OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O | InChi: | InChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1 | Definition date: | 2008-09-19 | Last modified: | 2016-08-16 | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate |
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![5BZ 5BZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5BZ.svg) | 5BZ | Name: | [(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid | Formula: | C20 H29 B N2 O4 | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCC#C)B(O)O | InChi: | InChI=1S/C20H29BN2O4/c1-4-5-7-12-19(24)22-17(14-16-10-8-6-9-11-16)20(25)23-18(21(26)27)13-15(2)3/h1,6,8-11,15,17-18,26-27H,5,7,12-14H2,2-3H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1 | Definition date: | 2015-09-04 | Last modified: | 2016-08-16 | Release date: | 2015-10-28 | Identifier: | [(1~{R})-1-[[(2~{S})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid |
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![YPE YPE](https://data.pdbj.org/pdbjplus/data/cc/svg/YPE.svg) | YPE | Name: | 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate | Formula: | C24 H19 O5 P | SMILES: | O(P(O)(O)=O)CCC#Cc1ccc3c2c1ccc4c2c(cc3)ccc4C#CCCO | InChi: | InChI=1S/C24H19O5P/c25-15-3-1-5-17-7-9-19-11-12-20-10-8-18(6-2-4-16-29-30(26,27)28)22-14-13-21(17)23(19)24(20)22/h7-14,25H,3-4,15-16H2,(H2,26,27,28) | Definition date: | 2016-01-18 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate |
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![YPF YPF](https://data.pdbj.org/pdbjplus/data/cc/svg/YPF.svg) | YPF | Name: | 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate | Formula: | C22 H19 O5 P | SMILES: | OCCC#Cc1ccc2ccc3ccc(cc3c2c1)C#CCCO[P](O)(O)=O | InChi: | InChI=1S/C22H19O5P/c23-13-3-1-5-17-7-9-19-11-12-20-10-8-18(16-22(20)21(19)15-17)6-2-4-14-27-28(24,25)26/h7-12,15-16,23H,3-4,13-14H2,(H2,24,25,26) | Definition date: | 2016-07-22 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate |
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![LRI LRI](https://data.pdbj.org/pdbjplus/data/cc/svg/LRI.svg) | LRI | Name: | 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine | Formula: | C12 H13 Cl N4 S | SMILES: | c1c(scc1)CN(C2CC2)c3nc(nc(c3)Cl)N | InChi: | InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16) | Definition date: | 2016-03-19 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine |
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![56O 56O](https://data.pdbj.org/pdbjplus/data/cc/svg/56O.svg) | 56O | Name: | N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine | Formula: | C30 H32 Cl N5 O10 | SMILES: | c2cc(c1cc(CC(C(NC(C(NC(CCC(O)=O)C(=O)N)=O)CCC(O)=O)=O)CC(NO)=O)on1)ccc2c3cccc(c3)Cl | InChi: | InChI=1S/C30H32ClN5O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(46-36-24)13-19(14-25(37)35-45)29(43)34-23(9-11-27(40)41)30(44)33-22(28(32)42)8-10-26(38)39/h1-7,12,15,19,22-23,45H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,35,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1 | Definition date: | 2015-08-05 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine |
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![58B 58B](https://data.pdbj.org/pdbjplus/data/cc/svg/58B.svg) | 58B | Name: | L-alanyl-D-alpha-glutamine | Formula: | C8 H15 N3 O4 | SMILES: | C(C(NC(C(N)C)=O)C(N)=O)CC(O)=O | InChi: | InChI=1S/C8H15N3O4/c1-4(9)8(15)11-5(7(10)14)2-3-6(12)13/h4-5H,2-3,9H2,1H3,(H2,10,14)(H,11,15)(H,12,13)/t4-,5+/m0/s1 | Definition date: | 2015-08-20 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | L-alanyl-D-alpha-glutamine |
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![58C 58C](https://data.pdbj.org/pdbjplus/data/cc/svg/58C.svg) | 58C | Name: | cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | Formula: | C21 H21 N5 O2 | SMILES: | c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O | InChi: | InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+ | Definition date: | 2015-08-20 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol |
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![68Q 68Q](https://data.pdbj.org/pdbjplus/data/cc/svg/68Q.svg) | 68Q | Name: | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid | Formula: | C14 H10 Cl2 N2 O3 | SMILES: | OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl | InChi: | InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) | Definition date: | 2016-02-17 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid |
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![68V 68V](https://data.pdbj.org/pdbjplus/data/cc/svg/68V.svg) | 68V | Name: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid | Formula: | C14 H11 Br N2 O3 | SMILES: | O=C(c1cc(ccc1)NC(Nc2ccc(Br)cc2)=O)O | InChi: | InChI=1S/C14H11BrN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20) | Definition date: | 2016-02-18 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid |
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![68W 68W](https://data.pdbj.org/pdbjplus/data/cc/svg/68W.svg) | 68W | Name: | 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid | Formula: | C20 H16 N2 O3 | SMILES: | O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O | InChi: | InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25) | Definition date: | 2016-02-18 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid |
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![6CK 6CK](https://data.pdbj.org/pdbjplus/data/cc/svg/6CK.svg) | 6CK | Name: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) | Formula: | C16 H22 F3 N5 O15 P2 | SMILES: | NC4=Nc3n(C1C(C(C(O1)COP(=O)(O)OP(O)(=O)OC2C(C(C(C(O2)C(F)(F)F)O)O)O)O)O)cnc3C(=O)N4 | InChi: | InChI=1S/C16H22F3N5O15P2/c17-16(18,19)10-7(27)6(26)9(29)14(37-10)38-41(33,34)39-40(31,32)35-1-3-5(25)8(28)13(36-3)24-2-21-4-11(24)22-15(20)23-12(4)30/h2-3,5-10,13-14,25-29H,1H2,(H,31,32)(H,33,34)(H3,20,22,23,30)/t3-,5-,6-,7+,8-,9+,10-,13-,14-/m1/s1 | Definition date: | 2016-03-11 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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![6DO 6DO](https://data.pdbj.org/pdbjplus/data/cc/svg/6DO.svg) | 6DO | Name: | (2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid | Formula: | C39 H65 N5 O8 | SMILES: | CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O)OC)N(C)C(=O)[CH](NC(=O)[CH](NC)C(C)C)C(C)C | InChi: | InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1 | Definition date: | 2016-03-30 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | (2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid |
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![6EC 6EC](https://data.pdbj.org/pdbjplus/data/cc/svg/6EC.svg) | 6EC | Name: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid | Formula: | C20 H16 N2 O4 | SMILES: | OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O | InChi: | InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26) | Definition date: | 2016-03-22 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid |
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![6EQ 6EQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6EQ.svg) | 6EQ | Name: | 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid | Formula: | C20 H16 N2 O4 | SMILES: | c1c(O)c(C(O)=O)ccc1NC(=O)Nc2cccc(c2)c3ccccc3 | InChi: | InChI=1S/C20H16N2O4/c23-18-12-16(9-10-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26) | Definition date: | 2016-03-23 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid |
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![6HJ 6HJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6HJ.svg) | 6HJ | Name: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | Formula: | C22 H23 N7 O | SMILES: | c12ncnc(c1c(nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C)N | InChi: | InChI=1S/C22H23N7O/c1-3-18(30)28-10-6-7-14(11-28)29-22-19(21(23)24-13-25-22)20(26-29)16-12-27(2)17-9-5-4-8-15(16)17/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H2,23,24,25)/t14-/m1/s1 | Definition date: | 2016-04-12 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 1-{(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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![6HL 6HL](https://data.pdbj.org/pdbjplus/data/cc/svg/6HL.svg) | 6HL | Name: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | Formula: | C23 H22 N6 O | SMILES: | c12ncnc(c1c(nn2C3CN(C([C@H]=C)=O)CCC3)c5c4ccccc4ccc5)N | InChi: | InChI=1S/C23H22N6O/c1-2-19(30)28-12-6-9-16(13-28)29-23-20(22(24)25-14-26-23)21(27-29)18-11-5-8-15-7-3-4-10-17(15)18/h2-5,7-8,10-11,14,16H,1,6,9,12-13H2,(H2,24,25,26)/t16-/m1/s1 | Definition date: | 2016-04-12 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 1-{(3R)-3-[4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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![6JM 6JM](https://data.pdbj.org/pdbjplus/data/cc/svg/6JM.svg) | 6JM | Name: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one | Formula: | C15 H10 O6 | SMILES: | c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O | InChi: | InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H | Definition date: | 2016-04-15 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one |
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![6JO 6JO](https://data.pdbj.org/pdbjplus/data/cc/svg/6JO.svg) | 6JO | Name: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one | Formula: | C15 H10 O5 | SMILES: | c1c(cccc1C=3Oc2ccc(O)cc2C(C=3O)=O)O | InChi: | InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)15-14(19)13(18)11-7-10(17)4-5-12(11)20-15/h1-7,16-17,19H | Definition date: | 2016-04-18 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one |
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![6JP 6JP](https://data.pdbj.org/pdbjplus/data/cc/svg/6JP.svg) | 6JP | Name: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one | Formula: | C16 H14 O6 | SMILES: | C1C(Oc2c(C1=O)c(cc(O)c2)O)c3ccc(c(c3)O)OC | InChi: | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 | Definition date: | 2016-04-18 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one |
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![6LM 6LM](https://data.pdbj.org/pdbjplus/data/cc/svg/6LM.svg) | 6LM | Name: | (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid | Formula: | C15 H22 O5 | SMILES: | C12(COC(C)(C1([C@H]=CC(C)CC(O)=O)O)CC(C2)=O)C | InChi: | InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-5,10,19H,6-9H2,1-3H3,(H,17,18)/b5-4+/t10-,13-,14-,15+/m1/s1 | Definition date: | 2016-05-02 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid |
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![CC6 CC6](https://data.pdbj.org/pdbjplus/data/cc/svg/CC6.svg) | CC6 | Name: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one | Formula: | C15 H10 O6 | SMILES: | OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O | InChi: | InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H | Definition date: | 2016-04-16 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one |
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