DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:45 UTC
Update Date	2025-03-25 00:48:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166484
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	CC(=O)Nc1ccc(OC(CCN)C(=O)O)cc1
InChI Key	GWEATXWJYYBAMI-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides acetanilides alkyl aryl ethers carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds phenol ethers phenoxy compounds phenoxyacetic acid derivatives secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid n-acetylarylamine gamma amino acid or derivatives n-arylamide alkyl aryl ether organic oxide organonitrogen compound organopnictogen compound acetamide acetanilide carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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