DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:23 UTC
Update Date	2025-03-21 18:37:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113685
Frequency	23.3
Structure
Chemical Formula	C₁₅H₂₁NO₅
Molecular Mass	295.142
SMILES	O=C(O)CCCCCCC(=O)NCc1ccc(O)c(O)c1
InChI Key	GEBAWVXKMUQSRO-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids benzene and substituted derivatives 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 amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group amino fatty acid n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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