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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
ChEBI ID CHEBI:112747
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H14N2O4
Net Charge 0
Average Mass 274.272
Monoisotopic Mass 274.09536
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
SMILES CC1=CC=CC(=C1O)C(=O)OCC(=O)C(C#N)C(=N)C
ChEBI Ontology
Outgoing 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 Xref Database
LSM-24157 LINCS
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