DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:08 UTC
Update Date	2025-03-21 18:41:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136637
Frequency	18.3
Structure
Chemical Formula	C₁₄H₁₉NO₄
Molecular Mass	265.1314
SMILES	CCOC(=O)C(Cc1ccccc1)NC(=O)C(C)O
InChI Key	FWHWGUDNAKFLAW-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 acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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