DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:46 UTC
Update Date	2025-03-25 00:48:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171061
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₁NO₄
Molecular Mass	221.0688
SMILES	COC(=O)C(Cc1ccc(O)cc1)N=C=O
InChI Key	QRARXPBSXNMPKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds fatty acid esters hydrocarbon derivatives isocyanates methyl esters monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives alpha-amino acid ester isocyanate organic 1,3-dipolar compound aromatic homomonocyclic compound fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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