DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:52 UTC
Update Date	2025-03-21 18:41:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133770
Frequency	18.8
Structure
Chemical Formula	C₁₂H₁₂N₂O₆
Molecular Mass	280.0695
SMILES	O=CNc1ccccc1C(=O)NC(CC(=O)O)C(=O)O
InChI Key	VWVFAFWHTNKDDW-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	acylaminobenzoic acid and derivatives alpha amino acids anilides benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide acylaminobenzoic acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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