CHEBI:30814 - digallic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name digallic acid
ChEBI ID CHEBI:30814
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4543, CHEBI:23723
Supplier Information
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Formulae C14H10O9
C14H10O9
Net Charge 0
Average Mass 322.22380
Monoisotopic Mass 322.032
InChI InChI=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)
InChIKey COVFEVWNJUOYRL-UHFFFAOYSA-N
SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
ChEBI Ontology
Outgoing digallic acid (CHEBI:30814) has functional parent gallic acid (CHEBI:30778)
digallic acid (CHEBI:30814) is a benzoate ester (CHEBI:36054)
digallic acid (CHEBI:30814) is a gallate ester (CHEBI:37576)
digallic acid (CHEBI:30814) is conjugate acid of digallate (CHEBI:17866)
Incoming digallate (CHEBI:17866) is conjugate base of digallic acid (CHEBI:30814)
IUPAC Name
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid
Synonyms Sources
Digallic acid KEGG COMPOUND
Gallic acid 3-monogallate ChemIDplus
Manual Xref Database
C01572 KEGG COMPOUND
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Registry Numbers Types Sources
2177723 Beilstein Registry Number Beilstein
536-08-3 CAS Registry Number KEGG COMPOUND
536-08-3 CAS Registry Number ChemIDplus
Last Modified
16 November 2012