DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:51 UTC
Update Date	2025-03-21 18:34:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102631
Frequency	26.5
Structure
Chemical Formula	C₁₀H₁₂N₂O₃
Molecular Mass	208.0848
SMILES	Nc1ccccc1C(=O)NCCC(=O)O
InChI Key	OCZQPOVJWVLQOT-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids benzamides benzoyl derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl benzamide organic oxide organonitrogen compound organopnictogen compound vinylogous amide benzoic acid or derivatives carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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