DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:45 UTC
Update Date	2025-03-21 18:06:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066312
Frequency	46.0
Structure
Chemical Formula	C₁₆H₁₆O₄
Molecular Mass	272.1049
SMILES	COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1
InChI Key	WHIXVXRRHPHWRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	chalcones and dihydrochalcones
Direct Parent	2'-hydroxy-dihydrochalcones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers alkyl-phenylketones anisoles aryl alkyl ketones benzoyl derivatives butyrophenones cinnamylphenols hydrocarbon derivatives methoxybenzenes organic oxides phenoxy compounds resorcinols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether 2'-hydroxy-dihydrochalcone aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid cinnamylphenol alkyl aryl ether resorcinol ketone organic oxide 1-hydroxy-4-unsubstituted benzenoid methoxybenzene phenylketone butyrophenone aromatic homomonocyclic compound vinylogous acid organic oxygen compound anisole phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone

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