DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:06 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224657
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NCc1[nH]cc(CCC(=O)O)c1CCC=CC(=O)O
InChI Key	WSWHUXOFGOQQEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	medium-chain fatty acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds pyrroles unsaturated fatty acids
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound azacycle heterocyclic fatty acid heteroaromatic compound carboxylic acid derivative amino fatty acid unsaturated fatty acid organic oxide organic oxygen compound pyrrole organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid primary aliphatic amine organic nitrogen compound organoheterocyclic compound organooxygen compound

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