DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:40 UTC
Update Date	2025-03-21 18:04:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052018
Frequency	62.7
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	NC1CC(Cc2ccc(O)c(O)c2)NC1=O
InChI Key	NMTSIQLTPNTGNJ-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 acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives lactams monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds pyrrolidine-2-ones secondary carboxylic acid amides
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound azacycle 1-hydroxy-4-unsubstituted benzenoid carboxamide group secondary carboxylic acid amide organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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