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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:30814 - digallic acid
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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
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Formulae
C14H10O9
C14H10O9
Net Charge
0
Average Mass
322.22380
Monoisotopic Mass
322.03248
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
View more database links
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