DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:16 UTC
Update Date	2025-03-25 00:53:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201856
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₆N₂O₄
Molecular Mass	322.1893
SMILES	Cc1cc(O)cc(C)c1CC(NC(=O)C(N)CC(C)C)C(=O)O
InChI Key	PROLUWUMDBMHBY-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives meta cresols monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives m-xylenes
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives xylene organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives m-cresol alpha-amino acid amide n-acyl-alpha-amino acid m-xylene carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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