CHEBI:193212 - CRESOPYRINE

ChEBI IDCHEBI:193212
ChEBI NameCRESOPYRINE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCC(=O)Oc1c(C)cccc1C(=O)O
InChIInChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)
InChIKeyXRBMKGUDDJPAMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
CRESOPYRINE (CHEBI:193212) is a benzoic acids (CHEBI:22723)
CRESOPYRINE (CHEBI:193212) is a carboxylic ester (CHEBI:33308)
CRESOPYRINE (CHEBI:193212) is a salicylates (CHEBI:26596)
IUPAC Name 
2-acetyloxy-3-methylbenzoic acid
Manual XrefsDatabases
70472ChemSpider
Registry NumbersSources
CAS:4386-39-4ChemIDplus