EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169986 - 6-Methoxysalicylic acid

ChEBI IDCHEBI:169986
ChEBI Name6-Methoxysalicylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCOc1cccc(O)c1C(=O)O
InChIInChI=1S/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyAAUQLHHARJUJEH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus Musculus (ncbitaxon:10090)
liver (BTO:0000759) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
blood plasma (BTO:0000131) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-Methoxysalicylic acid (CHEBI:169986) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
2-hydroxy-6-methoxybenzoic acid
Manual XrefsDatabases
514231ChemSpider