DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:48 UTC
Update Date	2025-03-25 00:50:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180358
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇NO₃
Molecular Mass	223.1208
SMILES	COc1ccc(C(=O)CCN(C)C)c(O)c1
InChI Key	KELOQDCOMARTFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles aryl alkyl ketones benzoyl derivatives beta-amino ketones hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides organopnictogen compounds phenoxy compounds trialkylamines vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone methoxyphenol benzoyl 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide organonitrogen compound organopnictogen compound beta-aminoketone tertiary amine tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid methoxybenzene aromatic homomonocyclic compound vinylogous acid anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine alkyl-phenylketone

Showing information for DMID02180358