DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:41:31 UTC
Update Date	2025-03-21 17:59:05 UTC
HMDB ID	HMDB0130321
Metabolite Identification
DeepMet ID	DMID00018684
Name	3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Frequency	220.9
Structure
Chemical Formula	C₁₆H₁₄O₆
Molecular Mass	302.079
SMILES	COc1cc(C=CC(=O)c2c(O)cc(O)cc2O)ccc1O
InChI Key	WQWVIIRCVOZVPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	cinnamylphenols
Direct Parent	cinnamylphenols
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acylphloroglucinols and derivatives alkyl aryl ethers alpha,beta-unsaturated ketones anisoles aryl ketones benzoyl derivatives hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols organic oxides phenoxy compounds vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether benzoyl 1-hydroxy-2-unsubstituted benzenoid methoxyphenol cinnamylphenol alkyl aryl ether alpha,beta-unsaturated ketone hydroxycinnamic acid or derivatives ketone phloroglucinol derivative cinnamic acid or derivatives organic oxide acylphloroglucinol derivative benzenetriol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxycinnamic acid aromatic homomonocyclic compound vinylogous acid organic oxygen compound anisole phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

Showing information for DMID00018684