CHEBI:208885 - Phaeolschidin B

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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 B
ChEBI ID CHEBI:208885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H28O10
Net Charge 0
Average Mass 560.555
Monoisotopic Mass 560.16825
InChI InChI=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+
InChIKey GPXLQXIQIYGNAJ-FCXRPNKRSA-N
SMILES O=C1OC(=CC(=C1C(C=2C(=O)OC(/C=C/C3=CC(O)=C(O)C=C3)=CC2O)CC(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 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 Xref Database
30823713 ChemSpider
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