DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:05 UTC
Update Date	2025-03-25 00:49:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171798
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁NO₃
Molecular Mass	263.1521
SMILES	CN(C)CCC1COC(=O)C1Cc1cccc(O)c1
InChI Key	DEQCTFPAXSMAJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids amino acids and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters gamma butyrolactones hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds tetrahydrofurans trialkylamines
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative lactone organic oxide organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound tetrahydrofuran tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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