DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:42:04 UTC
Update Date	2025-03-21 17:59:16 UTC
HMDB ID	HMDB0132899
Metabolite Identification
DeepMet ID	DMID00019932
Name	1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Frequency	204.2
Structure
Chemical Formula	C₁₆H₁₆O₅
Molecular Mass	288.0998
SMILES	COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1
InChI Key	UPXIBKPHJYQSGP-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 methoxyphenols organic oxides phenoxy compounds resorcinols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether 2'-hydroxy-dihydrochalcone aryl alkyl ketone methoxyphenol 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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