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CHEBI:167537 - Protocatechuic acid 3-glucoside

ChEBI IDCHEBI:167537
ChEBI NameProtocatechuic acid 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O9
Net Charge0
Average Mass316.262
Monoisotopic Mass316.07943
SMILESO=C(O)c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-3-5(12(19)20)1-2-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyZABGRNGGJZBHDJ-BZNQNGANSA-N
Species of MetaboliteComponentSourceComments
Gomphrena (ncbitaxon:169521) leaf (BTO:0000713) MetaboLights (MTBLS613) Strain: Gomphrena agrestis Mart.
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)
Protocatechuic acid 3-glucoside (CHEBI:167537) is a tannin (CHEBI:26848)
IUPAC Name 
4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Manual XrefsDatabases
10145808ChemSpider