CHEBI:220447 - Phaeolschidin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Phaeolschidin A
ChEBI ID CHEBI:220447
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O10
Net Charge 0
Average Mass 546.528
Monoisotopic Mass 546.15260
InChI InChI=1S/C30H26O10/c1-15(2)26(27-24(35)13-18(39-29(27)37)7-3-16-5-9-20(31)22(33)11-16)28-25(36)14-19(40-30(28)38)8-4-17-6-10-21(32)23(34)12-17/h3-15,26,31-36H,1-2H3/b7-3+,8-4+
InChIKey ZBPXWERFZFUSGL-FCXRPNKRSA-N
SMILES O=C1OC(=CC(=C1C(C=2C(=O)OC(/C=C/C3=CC(O)=C(O)C=C3)=CC2O)C(C)C)O)/C=C/C4=CC(O)=C(O)C=C4
Metabolite of Species Details
Phaeolus schweinitzii (NCBI:txid40476) See: PubMed
ChEBI Ontology
Outgoing Phaeolschidin A (CHEBI:220447) is a catechols (CHEBI:33566)
IUPAC Name
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[1-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-2-methylpropyl]-4-hydroxypyran-2-one
Manual Xref Database
30823712 ChemSpider
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