DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:42 UTC
Update Date	2025-03-25 00:54:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207427
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₂N₂O₄
Molecular Mass	236.0797
SMILES	Nc1ccc(C=CC(=O)NCC(=O)O)cc1O
InChI Key	DOGWHPMXNSXKBF-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxycinnamic acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid 1-hydroxy-2-unsubstituted benzenoid hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine hydroxycinnamic acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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