EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:30814 - digallic acid

ChEBI IDCHEBI:30814
ChEBI Namedigallic acid
Stars
Secondary ChEBI IDsCHEBI:4543, CHEBI:23723
Last Modified16 November 2012
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC14H10O9
Net Charge0
Average Mass322.225
Monoisotopic Mass322.03248
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)
InChIKeyCOVFEVWNJUOYRL-UHFFFAOYSA-N

ChEBI Ontology
IUPAC Name 
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid
Synonyms  Source
Digallic acidKEGG COMPOUND
Gallic acid 3-monogallateChemIDplus
Manual XrefsDatabases
C01572KEGG COMPOUND
Registry NumbersSources
Beilstein:2177723Beilstein
CAS:536-08-3KEGG COMPOUND
CAS:536-08-3ChemIDplus