DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:58 UTC
Update Date	2025-03-25 01:00:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242317
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₃O₃
Molecular Mass	251.127
SMILES	CC(C)Nc1cccc(C(=O)NCC(=O)O)c1N
InChI Key	ZUNPEIQRKDAQDA-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group n-acylglycine secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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