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CHEBI:220447 - Phaeolschidin A

ChEBI IDCHEBI:220447
ChEBI NamePhaeolschidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCC(C)C(c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O
InChIInChI=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+
InChIKeyZBPXWERFZFUSGL-FCXRPNKRSA-N
Species of MetaboliteComponentSourceComments
Phaeolus schweinitzii (ncbitaxon:40476) - PubMed (23869482)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
30823712ChemSpider