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CHEBI:173128 - 6-[2-(benzoyloxy)-5-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:173128
ChEBI Name6-[2-(benzoyloxy)-5-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESC=CCc1ccc(OC(=O)c2ccccc2)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C22H22O9/c1-2-6-12-9-10-14(29-21(28)13-7-4-3-5-8-13)15(11-12)30-22-18(25)16(23)17(24)19(31-22)20(26)27/h2-5,7-11,16-19,22-25H,1,6H2,(H,26,27)
InChIKeyRNHPWASTISTGIP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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)
6-[2-(benzoyloxy)-5-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:173128) is a tannin (CHEBI:26848)
IUPAC Name 
6-(2-benzoyloxy-5-prop-2-enylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid