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CHEBI:191830 - 2-Cinnamoyl-1-galloyl-beta-D-glucopyranose

ChEBI IDCHEBI:191830
ChEBI Name2-Cinnamoyl-1-galloyl-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILESO=C(/C=C\c1ccccc1)OC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC(CO)C(O)C1O
InChIInChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6-
InChIKeyFISMJUPMCGKNNX-SREVYHEPSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
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-Cinnamoyl-1-galloyl-beta-D-glucopyranose (CHEBI:191830) is a tannin (CHEBI:26848)
IUPAC Name 
[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039189HMDB