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CHEBI:190080 - 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]

ChEBI IDCHEBI:190080
ChEBI Name4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H32O12
Net Charge0
Average Mass608.596
Monoisotopic Mass608.18938
SMILESCC(=O)CCc1ccc(OC2OC(COC(=O)/C=C/c3ccccc3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1
InChIInChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+
InChIKeyAHLBWJHZDLMJOJ-SDNWHVSQSA-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-cinnamoylglucoside] (CHEBI:190080) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039313HMDB