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> Main
CHEBI:88603 - 3,4-O-Dimethylgallic acid
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ChEBI Ontology
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ChEBI Name
3,4-O-Dimethylgallic acid
ChEBI ID
CHEBI:88603
Stars
This entity has been manually annotated by a third party.
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Formula
C9H10O5
Net Charge
0
Average Mass
198.173
Monoisotopic Mass
198.05282
InChI
InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
InChIKey
WFIBQVFJXGQICQ-UHFFFAOYSA-N
SMILES
O(C1=C(C=C(C=C1OC)C(=O)O)O)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,4-O-Dimethylgallic acid (
CHEBI:88603
)
is a
trihydroxybenzoic acid (
CHEBI:27115
)
Synonym
Source
3-hydroxy-4,5-dimethoxybenzoic acid
HMDB
Manual Xrefs
Databases
HMDB0041662
HMDB
LSM-36993
LINCS
View more database links
Citations
Types
Sources
16870009
PubMed citation
Europe PMC
19812218
PubMed citation
Europe PMC
20428313
PubMed citation
Europe PMC
Last Modified
26 February 2016