DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:55 UTC
Update Date	2025-03-21 18:07:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066728
Frequency	45.7
Structure
Chemical Formula	C₁₄H₁₇NO₅
Molecular Mass	279.1107
SMILES	O=C(O)C(Cc1ccccc1)N1CC(O)CC1C(=O)O
InChI Key	CSEMBDAGUUZRFJ-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	1,2-aminoalcohols alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenylpropanoic acids proline and derivatives pyrrolidine carboxylic acids secondary alcohols trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

Showing information for DMID00066728