DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:01 UTC
Update Date	2025-03-25 00:50:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178567
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	Cc1cccc(C)c1N(C)CC(=O)NCC(=O)O
InChI Key	FMGKHJUVXPUHAZ-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 acid amides alpha amino acids amino acids aniline and substituted anilines carbonyl compounds carboxylic acids dialkylarylamines dipeptides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid xylene organic oxide tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine tertiary amine alpha-amino acid amide aniline or substituted anilines m-xylene carboxamide group n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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