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CHEBI:17866 - digallate

ChEBI IDCHEBI:17866
ChEBI Namedigallate
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Secondary ChEBI IDsCHEBI:14142, CHEBI:23722
Last Modified28 May 2015
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FormulaC14H9O9
Net Charge-1
Average Mass321.217
Monoisotopic Mass321.02521
SMILESO=C([O-])c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
InChIInChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)/p-1
InChIKeyCOVFEVWNJUOYRL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
digallate (CHEBI:17866) is a trihydroxybenzoate (CHEBI:36085)
digallate (CHEBI:17866) is conjugate base of digallic acid (CHEBI:30814)
Incoming Relation(s)
digallic acid (CHEBI:30814) is conjugate acid of digallate (CHEBI:17866)
IUPAC Name 
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate
UniProt Name  Source
digallateUniProt
Manual XrefsDatabases
C01572KEGG COMPOUND