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CHEBI:36241 - 3,4-dihydroxybenzoate
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ChEBI Ontology
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ChEBI Name
3,4-dihydroxybenzoate
ChEBI ID
CHEBI:36241
Definition
A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11694, CHEBI:14955, CHEBI:19878
Supplier Information
eMolecules:712466
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Molfile
Formula
C7H5O4
Net Charge
-1
Average Mass
153.112
Monoisotopic Mass
153.01933
InChI
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChIKey
YQUVCSBJEUQKSH-UHFFFAOYSA-M
SMILES
C(=O)(C1=CC(=C(C=C1)O)O)[O-]
ChEBI Ontology
Outgoing
3,4-dihydroxybenzoate (
CHEBI:36241
)
has functional parent
benzoate (
CHEBI:16150
)
3,4-dihydroxybenzoate (
CHEBI:36241
)
is a
dihydroxybenzoate (
CHEBI:36084
)
3,4-dihydroxybenzoate (
CHEBI:36241
)
is conjugate base of
3,4-dihydroxybenzoic acid (
CHEBI:36062
)
Incoming
3,4-dihydroxybenzoic acid (
CHEBI:36062
)
is conjugate acid of
3,4-dihydroxybenzoate (
CHEBI:36241
)
IUPAC Name
3,4-dihydroxybenzoate
Synonyms
Sources
3,4-dihydroxybenzoate
UniProt
3,4-Dihydroxybenzoate
KEGG COMPOUND
4,5-dihydroxybenzoate
ChEBI
Manual Xrefs
Databases
3-4-DIHYDROXYBENZOATE
MetaCyc
C00230
KEGG COMPOUND
c0120
UM-BBD
DB03946
DrugBank
View more database links
Registry Number
Type
Source
4921766
Reaxys Registry Number
Reaxys
Last Modified
05 July 2016