Terminology Service for NFDI4Health
2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
Go to external page
http://purl.obolibrary.org/obo/CHEBI_112747
Term info
Label
2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
Subsets
2_STAR
charge
0
formula
C14H14N2O4
has obo namespace
chebi_ontology
id
CHEBI:112747
inchi
InChI=1S/C14H14N2O4/c1-8-4-3-5-10(13(8)18)14(19)20-7-12(17)11(6-15)9(2)16/h3-5,11,16,18H,7H2,1-2H3
inchikey
UKUMTRNTAMVXJX-UHFFFAOYSA-N
mass
274.272
monoisotopicmass
274.09536
smiles
CC1=CC=CC(=C1O)C(=O)OCC(=O)C(C#N)C(=N)C