DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:44:38 UTC
Update Date	2025-03-21 18:00:12 UTC
HMDB ID	HMDB0130322
Metabolite Identification
DeepMet ID	DMID00025800
Name	5,7-dihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	149.2
Structure
Chemical Formula	C₁₆H₁₄O₅
Molecular Mass	286.0841
SMILES	COc1cccc(C2CC(=O)c3c(O)cc(O)cc3O2)c1
InChI Key	RRBWQNNVMSQYDT-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 aryl alkyl ketones chromones flavanones hydrocarbon derivatives methoxybenzenes 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 alkyl aryl ether ketone 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 anisole 7-hydroxyflavonoid hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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