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CHEBI:208885 - Phaeolschidin B

ChEBI IDCHEBI:208885
ChEBI NamePhaeolschidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O10
Net Charge0
Average Mass560.555
Monoisotopic Mass560.16825
SMILESCC(C)CC(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/C31H28O10/c1-16(2)11-21(28-26(36)14-19(40-30(28)38)7-3-17-5-9-22(32)24(34)12-17)29-27(37)15-20(41-31(29)39)8-4-18-6-10-23(33)25(35)13-18/h3-10,12-16,21,32-37H,11H2,1-2H3/b7-3+,8-4+
InChIKeyGPXLQXIQIYGNAJ-FCXRPNKRSA-N
Species of MetaboliteComponentSourceComments
Phaeolus schweinitzii (ncbitaxon:40476) - PubMed (23869482)
ChEBI Ontology
Outgoing Relation(s)
Phaeolschidin B (CHEBI:208885) 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]-3-methylbutyl]-4-hydroxypyran-2-one
Manual XrefsDatabases
30823713ChemSpider