DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:35 UTC
Update Date	2025-03-21 18:38:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119055
Frequency	21.9
Structure
Chemical Formula	C₁₁H₁₆N₂O₂
Molecular Mass	208.1212
SMILES	CC(C)C(N)C(=O)Nc1ccccc1O
InChI Key	CHUNMGAPUNYAGB-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	valine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide valine or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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