DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:41 UTC
Update Date	2025-03-25 00:54:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207382
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₃NO₅
Molecular Mass	263.0794
SMILES	Nc1ccccc1C(=O)C=C(CCC(=O)O)C(=O)O
InChI Key	QFTZWEGHMAGMII-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	alpha,beta-unsaturated ketones amino acids amino fatty acids aryl ketones benzoyl derivatives branched fatty acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids organic oxides organopnictogen compounds primary amines unsaturated fatty acids vinylogous amides
Substituents	carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl alpha,beta-unsaturated ketone carboxylic acid derivative ketone unsaturated fatty acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid vinylogous amide amino fatty acid branched fatty acid aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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