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Type:
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Metabolite
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PubChem:
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169167
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DrugBank:
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None
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IUPAC:
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3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8-benzo[7]annulenyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester |
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Standard InChI:
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InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1 |
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Standard InChIKey:
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KMJPKUVSXFVQGZ-WQLSNUALSA-N |
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SMILES:
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O=C(OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(=O)C(O)=C2C(O)=C(O)C=C(C3OC4=CC(O)=CC(O)=C4CC3O)C2=C1)C1=CC(O)=C(O)C(O)=C1 |
