DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:05 UTC
Update Date	2025-03-21 18:34:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103204
Frequency	26.3
Structure
Chemical Formula	C₁₃H₁₄N₂O₅
Molecular Mass	278.0903
SMILES	Nc1ccccc1C=CC(=O)NC(CC(=O)O)C(=O)O
InChI Key	YRYKJVJJMXALQL-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids cinnamic acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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