DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:41 UTC
Update Date	2025-03-21 18:38:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121597
Frequency	21.3
Structure
Chemical Formula	C₉H₁₂N₂O₃
Molecular Mass	196.0848
SMILES	NC(=O)C(N)Cc1ccc(O)cc1O
InChI Key	TYRHDUSKCNFBTE-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides resorcinols
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid resorcinol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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