EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228040 - 5-(2'-hydroxy-6'-methylphenyl)-3-methylfuran-2-carboxylic acid

ChEBI IDCHEBI:228040
ChEBI Name5-(2'-hydroxy-6'-methylphenyl)-3-methylfuran-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCc1cc(-c2c(C)cccc2O)oc1C(=O)O
InChIInChI=1S/C13H12O4/c1-7-4-3-5-9(14)11(7)10-6-8(2)12(17-10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyGIBDYAJVLGFVLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2015.10.016)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-(2'-hydroxy-6'-methylphenyl)-3-methylfuran-2-carboxylic acid (CHEBI:228040) is a furoic acid (CHEBI:36055)
IUPAC Name 
5-(2-hydroxy-6-methylphenyl)-3-methyluran-2-carboxylic acid
Manual XrefsDatabases
58197236ChemSpider