DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:56 UTC
Update Date	2025-03-21 18:38:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122199
Frequency	21.2
Structure
Chemical Formula	C₂₂H₂₂N₂O₄
Molecular Mass	378.158
SMILES	NC(Cc1cccc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	HBKITSJKXNTZAA-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 homopolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids naphthalenes organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid aromatic homopolycyclic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives naphthalene phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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