DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:15 UTC
Update Date	2025-03-25 00:49:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172149
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅NO₃
Molecular Mass	233.1052
SMILES	CN1CC(C(=O)O)=CCC1c1cccc(O)c1
InChI Key	HCNKVIGDYLCDFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	Not Available
Subclass	alkaloids and derivatives
Direct Parent	alkaloids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino acids aralkylamines azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative aralkylamine organic oxide organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound azacycle tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid monocarboxylic acid or derivatives alkaloid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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