DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:52 UTC
Update Date	2025-03-25 00:52:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194062
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇NO₃
Molecular Mass	235.1208
SMILES	CN1CCCC1COc1ccccc1C(=O)O
InChI Key	XGUVIHXANXJDCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzoic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alkyl aryl ethers amino acids azacyclic compounds benzoyl derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenol ethers phenoxy compounds trialkylamines
Substituents	phenol ether ether carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid pyrrolidine tertiary amine organoheterocyclic compound azacycle n-alkylpyrrolidine tertiary aliphatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound phenoxy compound amine organooxygen compound

Showing information for DMID02194062