DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:34:51 UTC
Update Date	2025-03-21 17:56:46 UTC
HMDB ID	HMDB0130324
Metabolite Identification
DeepMet ID	DMID00003516
Name	3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Frequency	1656.8
Structure
Chemical Formula	C₁₆H₁₆O₆
Molecular Mass	304.0947
SMILES	COc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O
InChI Key	IIKYRVBBNSRJJT-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 acylphloroglucinols and derivatives alkyl aryl ethers alkyl-phenylketones anisoles aryl alkyl ketones benzoyl derivatives butyrophenones cinnamylphenols hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides phenoxy compounds vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether 2'-hydroxy-dihydrochalcone aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid methoxyphenol cinnamylphenol alkyl aryl ether ketone phloroglucinol derivative organic oxide acylphloroglucinol derivative benzenetriol 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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