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CHEBI:112747 - 2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester

ChEBI IDCHEBI:112747
ChEBI Name2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
Stars
DownloadsMolfile
FormulaC14H14N2O4
Net Charge0
Average Mass274.276
Monoisotopic Mass274.09536
SMILESCC(=N)C(C#N)C(=O)COC(=O)c1cccc(C)c1O
InChIInChI=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
InChIKeyUKUMTRNTAMVXJX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester (CHEBI:112747) has functional parent salicylic acid (CHEBI:16914)
2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester (CHEBI:112747) is a benzoate ester (CHEBI:36054)
2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester (CHEBI:112747) is a phenols (CHEBI:33853)
Manual XrefsDatabases
LSM-24157LINCS