DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:09 UTC
Update Date	2025-03-21 18:41:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132183
Frequency	19.1
Structure
Chemical Formula	C₁₂H₁₆N₂O₃
Molecular Mass	236.1161
SMILES	Cc1cccc(C)c1NC(=O)C(N)CC(=O)O
InChI Key	QQONBPGIXSQYRZ-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide m-xylene carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00132183