DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:36 UTC
Update Date	2025-03-25 00:52:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193464
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇NO₄
Molecular Mass	263.1158
SMILES	CCCCC=C(NC(=O)c1ccccc1O)C(=O)O
InChI Key	LOAIQDIEZCBQBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric 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 benzoyl derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds salicylamides secondary carboxylic acid amides unsaturated fatty acids vinylogous acids
Substituents	fatty acyl carbocyclic fatty acid carbonyl group carboxylic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid unsaturated fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group amino fatty acid salicylamide aromatic homomonocyclic compound secondary carboxylic acid amide vinylogous acid monocarboxylic acid or derivatives organic oxygen compound salicylic acid or derivatives phenol hydrocarbon derivative organic nitrogen compound organooxygen compound

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