DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:45 UTC
Update Date	2025-03-21 18:34:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099882
Frequency	27.5
Structure
Chemical Formula	C₁₂H₁₇NO₃
Molecular Mass	223.1208
SMILES	CC(CO)NC(Cc1ccccc1)C(=O)O
InChI Key	ILYXTSMUWBSIER-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 amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids primary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol secondary aliphatic amine secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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