![VX0 VX0](https://data.pdbj.org/pdbjplus/data/cc/svg/VX0.svg) | VX0 | Name: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide | Formula: | C19 H20 F3 N5 O2 | SMILES: | C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4 | InChi: | InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29) | Definition date: | 2023-08-31 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide |
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![WEB WEB](https://data.pdbj.org/pdbjplus/data/cc/svg/WEB.svg) | WEB | Name: | alpha-D-psicopyranose | Formula: | C6 H12 O6 | SMILES: | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 | Synonyms: | (2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | Definition date: | 2023-10-02 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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![WME WME](https://data.pdbj.org/pdbjplus/data/cc/svg/WME.svg) | WME | Name: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid | Formula: | C53 H51 Cl2 F N6 O9 S | SMILES: | CN1CCN(CC1)CC1Oc2c(Cl)c(C)c(c3c4c(ncnc4sc3c3ccc(F)cc3)OC(Cc3cc(OC1)ccc3OCc1ccnc(n1)c1ccc(OCC3COCCO3)cc1)C(=O)O)c(C)c2Cl | InChi: | InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1 | Definition date: | 2022-09-29 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid |
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![WQF WQF](https://data.pdbj.org/pdbjplus/data/cc/svg/WQF.svg) | WQF | Name: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid | Formula: | C12 H17 N2 O7 P | SMILES: | Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1 | Definition date: | 2022-10-12 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid |
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![ITF ITF](https://data.pdbj.org/pdbjplus/data/cc/svg/ITF.svg) | ITF | Name: | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate | Formula: | C6 H10 N4 S | SMILES: | NC(=N)SCCc1[nH]cnc1 | InChi: | InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10) | Definition date: | 2022-07-14 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate |
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![WYN WYN](https://data.pdbj.org/pdbjplus/data/cc/svg/WYN.svg) | WYN | Name: | quinalphos | Formula: | C12 H15 N2 O3 P S | SMILES: | CCOP(=S)(OCC)Oc1cnc2ccccc2n1 | InChi: | InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate |
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![WYS WYS](https://data.pdbj.org/pdbjplus/data/cc/svg/WYS.svg) | WYS | Name: | parathion | Formula: | C10 H14 N O5 P S | SMILES: | S=P(Oc1ccc(cc1)N(=O)=O)(OCC)OCC | InChi: | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(4-nitrophenyl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(4-nitrophenyl) phosphorothioate |
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![WYW WYW](https://data.pdbj.org/pdbjplus/data/cc/svg/WYW.svg) | WYW | Name: | triazophos | Formula: | C12 H16 N3 O3 P S | SMILES: | CCOP(=S)(OCC)Oc1ncn(n1)c1ccccc1 | InChi: | InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 | Synonyms: | O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate |
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![WZ0 WZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/WZ0.svg) | WZ0 | Name: | coumaphos | Formula: | C14 H16 Cl O5 P S | SMILES: | CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C | InChi: | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 | Synonyms: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate | Definition date: | 2022-10-24 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate |
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![IZS IZS](https://data.pdbj.org/pdbjplus/data/cc/svg/IZS.svg) | IZS | Name: | ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate | Formula: | C13 H21 N3 O2 | SMILES: | CCOC(=O)CN(C)c1nc(CC)cc(CC)n1 | InChi: | InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3 | Definition date: | 2023-08-04 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate |
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![X2I X2I](https://data.pdbj.org/pdbjplus/data/cc/svg/X2I.svg) | X2I | Name: | (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED) | Formula: | C33 H40 N4 O6 | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1 | Synonyms: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | Definition date: | 2023-10-19 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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![X3B X3B](https://data.pdbj.org/pdbjplus/data/cc/svg/X3B.svg) | X3B | Name: | 2-methylidene-1,3-dioxane-4,4-diol | Formula: | C5 H8 O4 | SMILES: | OC1(O)CCOC(=C)O1 | InChi: | InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2 | Definition date: | 2023-05-31 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 2-methylidene-1,3-dioxane-4,4-diol |
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![X3E X3E](https://data.pdbj.org/pdbjplus/data/cc/svg/X3E.svg) | X3E | Name: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol | Formula: | C6 H12 O4 | SMILES: | C[CH]1CC(O)(O)O[CH](C)O1 | InChi: | InChI=1S/C6H12O4/c1-4-3-6(7,8)10-5(2)9-4/h4-5,7-8H,3H2,1-2H3/t4-,5+/m1/s1 | Definition date: | 2023-05-31 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol |
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![X3T X3T](https://data.pdbj.org/pdbjplus/data/cc/svg/X3T.svg) | X3T | Name: | cyclohexa-2,5-diene-1,1-diol | Formula: | C6 H8 O2 | SMILES: | OC1(O)C=CCC=C1 | InChi: | InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2 | Definition date: | 2023-05-31 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | cyclohexa-2,5-diene-1,1-diol |
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![X9T X9T](https://data.pdbj.org/pdbjplus/data/cc/svg/X9T.svg) | X9T | Name: | (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one | Formula: | C22 H20 Cl N5 O3 | SMILES: | Cc1ncc2NC(=O)N(c2n1)c1cnc(Oc2cccc3OCC(C)(C)c32)c(Cl)c1C | InChi: | InChI=1S/C22H20ClN5O3/c1-11-14(28-19-13(27-21(28)29)8-24-12(2)26-19)9-25-20(18(11)23)31-16-7-5-6-15-17(16)22(3,4)10-30-15/h5-9H,10H2,1-4H3,(H,27,29) | Definition date: | 2022-11-08 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one |
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![EBZ EBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EBZ.svg) | EBZ | Name: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one | Formula: | C19 H27 N O3 | SMILES: | CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O | InChi: | InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1 | Definition date: | 2023-07-18 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one |
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![LKR LKR](https://data.pdbj.org/pdbjplus/data/cc/svg/LKR.svg) | LKR | Name: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one | Formula: | C15 H10 O7 | SMILES: | Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O | InChi: | InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H | Synonyms: | Robinetin | Definition date: | 2022-11-25 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one |
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![MFF MFF](https://data.pdbj.org/pdbjplus/data/cc/svg/MFF.svg) | MFF | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![JLU JLU](https://data.pdbj.org/pdbjplus/data/cc/svg/JLU.svg) | JLU | Name: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one | Formula: | C21 H25 F N10 O10 P2 | SMILES: | NC1=NC(=O)c2ncn([CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4C3)n6cnc7c(N)ncnc67)c2N1 | InChi: | InChI=1S/C21H25FN10O10P2/c22-12-15-11(40-20(12)32-7-27-13-16(23)25-5-26-17(13)32)4-39-43(34,35)41-10-2-9(1-8(10)3-38-44(36,37)42-15)31-6-28-14-18(31)29-21(24)30-19(14)33/h5-12,15,20H,1-4H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t8-,9-,10+,11-,12-,15-,20-/m1/s1 | Definition date: | 2022-05-05 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one |
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![JP9 JP9](https://data.pdbj.org/pdbjplus/data/cc/svg/JP9.svg) | JP9 | Name: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid | Formula: | | SMILES: | O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O | InChi: | InChI=1S/C6H13O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h4-6,8-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t4-,5-,6-/m1/s1 | Definition date: | 2023-08-08 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid |
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![QBF QBF](https://data.pdbj.org/pdbjplus/data/cc/svg/QBF.svg) | QBF | Name: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol | Formula: | C11 H16 O4 | SMILES: | COc1cc(CCCO)cc(OC)c1O | InChi: | InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3 | Synonyms: | propanol syringol | Definition date: | 2022-10-18 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol |
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![IRJ IRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IRJ.svg) | IRJ | Name: | 4-benzylbenzoic acid | Formula: | C14 H12 O2 | SMILES: | O=C(O)c1ccc(Cc2ccccc2)cc1 | InChi: | InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16) | Definition date: | 2023-08-03 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 4-benzylbenzoic acid |
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![MI8 MI8](https://data.pdbj.org/pdbjplus/data/cc/svg/MI8.svg) | MI8 | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25-,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![ET4 ET4](https://data.pdbj.org/pdbjplus/data/cc/svg/ET4.svg) | ET4 | Name: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol | Formula: | C40 H54 O2 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H54O2/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/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | Synonyms: | Diatoxanthin | Definition date: | 2023-06-15 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol |
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![AU9 AU9](https://data.pdbj.org/pdbjplus/data/cc/svg/AU9.svg) | AU9 | Name: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid | Formula: | C27 H27 N3 O5 S | SMILES: | Cc1c(OCc2oc(SCc3cccc(CN[CH](CO)C(O)=O)c3)nn2)cccc1c4ccccc4 | InChi: | InChI=1S/C27H27N3O5S/c1-18-22(21-9-3-2-4-10-21)11-6-12-24(18)34-16-25-29-30-27(35-25)36-17-20-8-5-7-19(13-20)14-28-23(15-31)26(32)33/h2-13,23,28,31H,14-17H2,1H3,(H,32,33)/t23-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid |
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