DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:53 UTC
Update Date	2025-03-25 00:59:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237590
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅NO₄
Molecular Mass	249.1001
SMILES	Nc1ccc(CCC(=O)CC(=O)CC(=O)O)cc1
InChI Key	BVTDNVBFEUSLTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	carbocyclic fatty acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amino acids amino fatty acids benzene and substituted derivatives beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls hydrocarbon derivatives medium-chain keto acids and derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines
Substituents	beta-hydroxy ketone carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid carboxylic acid derivative beta-keto acid ketone organic oxide organonitrogen compound organopnictogen compound amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound medium-chain keto acid

Showing information for DMID02237590