DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:10 UTC
Update Date	2025-03-21 18:29:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076954
Frequency	38.2
Structure
Chemical Formula	C₁₄H₁₅NO₆
Molecular Mass	293.0899
SMILES	O=C(O)C1CCC(=O)N1C(Cc1ccc(O)cc1)C(=O)O
InChI Key	SJKQHWXHGSGHAU-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 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 phenylalanine and derivatives 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 1-hydroxy-2-unsubstituted benzenoid 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 tyrosine or derivatives azacycle n-alkylpyrrolidine carboxamide group pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00076954