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CHEBI:190079 - 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]

ChEBI IDCHEBI:190079
ChEBI Name4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H32O13
Net Charge0
Average Mass624.595
Monoisotopic Mass624.18429
SMILESCC(=O)CCc1ccc(OC2OC(COC(=O)/C=C/c3ccc(O)cc3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1
InChIInChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+
InChIKeyQIEOAEKNEKYVTH-MDWZMJQESA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside] (CHEBI:190079) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039315HMDB