CHEBI:89493 - 2,6-Dimethoxybenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-Dimethoxybenzoic acid
ChEBI ID CHEBI:89493
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H10O4
Net Charge 0
Average Mass 182.174
Monoisotopic Mass 182.05791
InChI InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey MBIZFBDREVRUHY-UHFFFAOYSA-N
SMILES O=C(O)C1=C(OC)C=CC=C1OC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing 2,6-Dimethoxybenzoic acid (CHEBI:89493) is a benzenes (CHEBI:22712)
2,6-Dimethoxybenzoic acid (CHEBI:89493) is a carbonyl compound (CHEBI:36586)
Synonyms Sources
2,6-Dimethoxy-Benzoic acid HMDB
2,6-Dimethoxy-benzoic acid HMDB
2,6-dimethoxybenzoic acid HMDB
Manual Xrefs Databases
C00040794 KNApSAcK
HMDB0029273 HMDB
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Citations Waiting for Citations Types Sources
19812218 PubMed citation Europe PMC
20428313 PubMed citation Europe PMC