DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:01 UTC
Update Date	2025-03-21 18:41:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134112
Frequency	18.8
Structure
Chemical Formula	C₁₇H₁₅NO₄
Molecular Mass	297.1001
SMILES	Nc1c(O)cccc1C(=O)CC(=O)C=Cc1ccc(O)cc1
InChI Key	KRULWASVFMCDRN-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 acryloyl compounds aryl alkyl ketones benzoyl derivatives butyrophenones enones hydrocarbon derivatives hydroxycinnamic acids organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha,beta-unsaturated ketone hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound organopnictogen compound enone vinylogous amide 1-hydroxy-4-unsubstituted benzenoid hydroxycinnamic acid butyrophenone aromatic homomonocyclic compound phenol hydrocarbon derivative benzenoid acryloyl-group primary amine organic nitrogen compound amine alkyl-phenylketone

Showing information for DMID00134112