DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:35 UTC
Update Date	2025-03-21 17:58:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016633
Frequency	256.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₃
Molecular Mass	236.1161
SMILES	Cc1cccc(C)c1NC(=O)CNCC(=O)O
InChI Key	OFKRHNPQNVPSEQ-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids anilides carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide m-xylene secondary amine carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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