DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:01 UTC
Update Date	2025-03-25 00:57:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224487
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₆
Molecular Mass	310.1165
SMILES	O=C(NCCC(O)C(=O)O)NC(Cc1ccccc1)C(=O)O
InChI Key	YYFWWTZKIRKILH-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monosaccharides n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide saccharide organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol carbonic acid derivative n-carbamoyl-alpha-amino acid hydroxy acid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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