DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:27 UTC
Update Date	2025-03-21 18:07:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00068003
Frequency	44.6
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	COc1ccccc1NC(=O)CNC(C)=O
InChI Key	NHDVXDSWUGBKJN-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alpha amino acid amides alpha amino acids anilides anisoles carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives methoxybenzenes n-arylamides organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether n-arylamide alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group methoxybenzene aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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