DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:29 UTC
Update Date	2025-03-21 18:03:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042076
Frequency	81.4
Structure
Chemical Formula	C₁₅H₂₁NO₆
Molecular Mass	311.1369
SMILES	CC(C)(CO)C(O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	HCHKXGNREZUEHM-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine 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 secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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