DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:38 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186807
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₂
Molecular Mass	222.1368
SMILES	NCCc1ccc(NCCCC(=O)O)cc1
InChI Key	YWUUZOCJUUYSKV-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	amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid gamma amino acid or derivatives secondary amine secondary aliphatic/aromatic amine aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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