DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:45:33 UTC
Update Date	2025-03-21 18:00:33 UTC
HMDB ID	HMDB0124864
Metabolite Identification
DeepMet ID	DMID00027968
Name	5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	135.2
Structure
Chemical Formula	C₁₇H₁₆O₇
Molecular Mass	332.0896
SMILES	COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1O
InChI Key	KCFYHBSOLOXZIF-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones dimethoxybenzenes flavanones hydrocarbon derivatives methoxyphenols organic oxides oxacyclic compounds phenoxy compounds 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 ketone dimethoxybenzene organic oxide chromone aromatic heteropolycyclic compound chromane organoheterocyclic compound benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle vinylogous acid organic oxygen compound m-dimethoxybenzene anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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