DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:06 UTC
Update Date	2025-03-21 18:29:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076813
Frequency	60.2
Structure
Chemical Formula	C₁₄H₁₇NO₄
Molecular Mass	263.1158
SMILES	CC(=O)CCC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	KIARNVZHNLCJGK-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 amphetamines and derivatives benzene and substituted derivatives carboxylic acids hydrocarbon derivatives ketones monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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