DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:43:22 UTC
Update Date	2025-03-21 17:59:43 UTC
HMDB ID	HMDB0124876
Metabolite Identification
DeepMet ID	DMID00022832
Name	2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	173.2
Structure
Chemical Formula	C₁₆H₁₄O₇
Molecular Mass	318.074
SMILES	COc1c(O)cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O
InChI Key	ATQHUHGAFUHRKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds resorcinols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether resorcinol ketone organic oxide chromone aromatic heteropolycyclic compound chromane organoheterocyclic compound benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound anisole 7-hydroxyflavonoid 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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