DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:02 UTC
Update Date	2025-03-21 17:59:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024373
Frequency	160.1
Structure
Chemical Formula	C₁₅H₁₅NO₃
Molecular Mass	257.1052
SMILES	Nc1c(O)cccc1C(=O)CCc1ccc(O)cc1
InChI Key	LZCFNOSOHLNMQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	chalcones and dihydrochalcones
Direct Parent	retro-dihydrochalcones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl-phenylketones aryl alkyl ketones benzoyl derivatives butyrophenones cinnamylphenols hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid cinnamylphenol retro-dihydrochalcone ketone organic oxide organonitrogen compound organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid phenylketone butyrophenone aromatic homomonocyclic compound organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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