DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:26:30 UTC
Update Date	2025-03-21 18:39:28 UTC
HMDB ID	HMDB0124866
Metabolite Identification
DeepMet ID	DMID00125861
Name	2-(3,5-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Frequency	20.4
Structure
Chemical Formula	C₁₇H₁₄O₆
Molecular Mass	314.079
SMILES	COc1cc(OC)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c1
InChI Key	XFWVHODJBGMKRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	3'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles chromones dimethoxybenzenes flavonoids heteroaromatic compounds hydrocarbon derivatives organic oxides oxacyclic compounds phenoxy compounds pyranones and derivatives vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether dimethoxybenzene organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle vinylogous acid organic oxygen compound m-dimethoxybenzene pyran anisole 7-hydroxyflavonoid hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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