DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:03:01 UTC
Update Date	2025-03-21 18:07:27 UTC
HMDB ID	HMDB0130373
Metabolite Identification
DeepMet ID	DMID00069379
Name	3-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	43.5
Structure
Chemical Formula	C₁₇H₁₆O₅
Molecular Mass	300.0998
SMILES	COc1ccc2c(c1)OCC(c1ccc(OC)c(O)c1)C2=O
InChI Key	VTBLDVNDPNJHHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	o-methylated isoflavonoids
Direct Parent	3'-hydroxy,4'-methoxyisoflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 7-o-methylated isoflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones hydrocarbon derivatives isoflavanols isoflavanones methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds
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 aromatic heteropolycyclic compound chromane organoheterocyclic compound isoflavan benzopyran 3'-hydroxy,4'-methoxyisoflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle organic oxygen compound anisole phenol hydrocarbon derivative benzenoid phenoxy compound 7-methoxyisoflavonoid-skeleton organooxygen compound aryl ketone

Showing information for DMID00069379