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CHEBI:192006 - 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

ChEBI IDCHEBI:192006
ChEBI Name2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESO=C(/C=C\c1ccc(O)cc1)OC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC(CO)C(O)C1O
InChIInChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-
InChIKeySWCFDHFIUQJCLJ-UTCJRWHESA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside (CHEBI:192006) is a tannin (CHEBI:26848)
IUPAC Name 
[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039190HMDB