DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:36:56 UTC
Update Date	2025-03-21 17:57:30 UTC
HMDB ID	HMDB0140574
Metabolite Identification
DeepMet ID	DMID00008300
Name	5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	591.6
Structure
Chemical Formula	C₁₆H₁₄O₆
Molecular Mass	302.079
SMILES	COc1cc(C2COc3cc(O)cc(O)c3C2=O)ccc1O
InChI Key	OKZDPTMCZVSTDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	o-methylated isoflavonoids
Direct Parent	3'-o-methylated isoflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles aryl alkyl ketones chromones hydrocarbon derivatives isoflavanols isoflavanones methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran isoflavanol 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether isoflavanone ketone organic oxide chromone 3p-methoxyisoflavonoid-skeleton aromatic heteropolycyclic compound chromane organoheterocyclic compound isoflavan benzopyran 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound anisole phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

Showing information for DMID00008300