DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:08 UTC
Update Date	2025-03-21 18:03:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00046082
Frequency	72.9
Structure
Chemical Formula	C₁₃H₁₇NO₅
Molecular Mass	267.1107
SMILES	O=C(O)C(O)CCNC(Cc1ccccc1)C(=O)O
InChI Key	VJWRQPPHWKSIMX-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 homomonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds phenylpropanoic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol secondary aliphatic amine hydroxy acid secondary amine aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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