DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:18 UTC
Update Date	2025-03-25 00:56:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218225
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₂N₂O₂
Molecular Mass	216.0899
SMILES	N#Cc1ccc2c(c1)NCC2CCC(=O)O
InChI Key	STXJAIKTGYAYEN-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	delta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids hydrocarbon derivatives indoles indolines monocarboxylic acids and derivatives nitriles organic oxides organopnictogen compounds secondary alkylarylamines
Substituents	carbonyl group nitrile carboxylic acid amino acid indole organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound delta amino acid or derivatives dihydroindole carbonitrile organoheterocyclic compound azacycle indole or derivatives secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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