DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:23 UTC
Update Date	2025-03-21 18:39:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125547
Frequency	34.3
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NC(CCCCNC(=O)c1cccc(O)c1)C(=O)O
InChI Key	QRZXFGSRWSLJQY-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids benzamides benzoyl derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group amino fatty acid aromatic homomonocyclic compound 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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