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CHEBI:168634 - 3'-(2''-Galloylglucosyl)-phloroacetophenone

ChEBI IDCHEBI:168634
ChEBI Name3'-(2''-Galloylglucosyl)-phloroacetophenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O13
Net Charge0
Average Mass482.394
Monoisotopic Mass482.10604
SMILESCC(=O)c1c(O)cc(O)c(C2OC(CO)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)c1O
InChIInChI=1S/C21H22O13/c1-6(23)13-8(24)4-9(25)14(17(13)30)19-20(18(31)16(29)12(5-22)33-19)34-21(32)7-2-10(26)15(28)11(27)3-7/h2-4,12,16,18-20,22,24-31H,5H2,1H3
InChIKeyABXKUABLJLHDAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3'-(2''-Galloylglucosyl)-phloroacetophenone (CHEBI:168634) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0040622HMDB
35014976ChemSpider