DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:45 UTC
Update Date	2025-03-21 18:29:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078402
Frequency	37.3
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	NC(CCCC(=O)Nc1ccccc1O)C(=O)O
InChI Key	VPJQOMQIVHDTDD-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino fatty acids anilides carbocyclic fatty acids carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid n-arylamide alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group amino fatty acid aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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