DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:42 UTC
Update Date	2025-03-21 17:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023591
Frequency	166.6
Structure
Chemical Formula	C₁₄H₁₅NO₅
Molecular Mass	277.095
SMILES	O=C(O)C1CCC(=O)N1C(Cc1ccccc1)C(=O)O
InChI Key	DDQRSMDLZHJUHW-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives lactams n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds oxoprolines phenylpropanoic acids proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones tertiary carboxylic acid amides
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound amphetamine or derivatives proline or derivatives oxoproline azacycle n-alkylpyrrolidine carboxamide group pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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