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CHEBI:66346 - vaccihein A

ChEBI IDCHEBI:66346
ChEBI Namevaccihein A
Stars
DefinitionA benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from Vaccinium ashei, it exhibits antioxidant activity.
Last Modified14 April 2015
DownloadsMolfile
FormulaC18H18O9
Net Charge0
Average Mass378.333
Monoisotopic Mass378.09508
SMILESCOC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C18H18O9/c1-24-14-4-9(5-15(25-2)17(14)22)18(23)27-13-7-10(19)6-12(20)11(13)8-16(21)26-3/h4-7,19-20,22H,8H2,1-3H3
InChIKeyHTYXVCATPMWMSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vaccinium ashei (IPNI:261790-2) fruit (BTO:0000486) PubMed (12372879)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
vaccihein A (CHEBI:66346) has role antioxidant (CHEBI:22586)
vaccihein A (CHEBI:66346) has role metabolite (CHEBI:25212)
vaccihein A (CHEBI:66346) is a benzoate ester (CHEBI:36054)
vaccihein A (CHEBI:66346) is a dimethoxybenzene (CHEBI:51681)
vaccihein A (CHEBI:66346) is a methyl ester (CHEBI:25248)
vaccihein A (CHEBI:66346) is a resorcinols (CHEBI:33572)
IUPAC Name 
3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl 4-hydroxy-3,5-dimethoxybenzoate
Synonym  Source
methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetateChEBI
Registry NumbersSources
Reaxys:9293144Reaxys
Citations