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CHEBI:176268 - 2'',3''-Di-O-p-coumaroylafzelin

Default Structure
ChEBI IDCHEBI:176268
ChEBI Name2'',3''-Di-O-p-coumaroylafzelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H32O14
Net Charge0
Average Mass724.671
Monoisotopic Mass724.17921
SMILESCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC(=O)/C=C/c2ccc(O)cc2)C(OC(=O)/C=C/c2ccc(O)cc2)C1O
InChIInChI=1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+
InChIKeyHKZIBACORRUGAC-KGMKFKQSSA-N
ChEBI Ontology
Outgoing Relation(s)
2'',3''-Di-O-p-coumaroylafzelin (CHEBI:176268) is a flavonoids (CHEBI:72544)
2'',3''-Di-O-p-coumaroylafzelin (CHEBI:176268) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
4478665ChemSpider
HMDB0039928HMDB