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CHEBI:168413 - 6-[3-(benzoyloxy)-2-methoxy-6-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:168413
ChEBI Name6-[3-(benzoyloxy)-2-methoxy-6-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O10
Net Charge0
Average Mass460.435
Monoisotopic Mass460.13695
SMILESC=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C23H24O10/c1-3-7-12-10-11-14(31-22(29)13-8-5-4-6-9-13)19(30-2)18(12)32-23-17(26)15(24)16(25)20(33-23)21(27)28/h3-6,8-11,15-17,20,23-26H,1,7H2,2H3,(H,27,28)
InChIKeyHYAJQWFHTNZOIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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-[3-(benzoyloxy)-2-methoxy-6-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168413) is a tannin (CHEBI:26848)
IUPAC Name 
6-(3-benzoyloxy-2-methoxy-6-prop-2-enylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135253HMDB