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CHEBI:183844 - Ethopabate

ChEBI IDCHEBI:183844
ChEBI NameEthopabate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO4
Net Charge0
Average Mass237.255
Monoisotopic Mass237.10011
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIInChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyGOVWOKSKFSBNGD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ethopabate (CHEBI:183844) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 4-acetamido-2-ethoxybenzoate
Manual XrefsDatabases
D08916KEGG DRUG
5812ChemSpider
Registry NumbersSources
CAS:59-06-3ChemIDplus