DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 14:39:30 UTC
Update Date	2025-03-25 00:46:21 UTC
HMDB ID	HMDB0129960
Metabolite Identification
DeepMet ID	DMID02154698
Name	5,6,7-trihydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₄O₆
Molecular Mass	302.079
SMILES	COc1ccc(C2COc3cc(O)c(O)c(O)c3C2=O)cc1
InChI Key	UJVRVMCPKIMEEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	o-methylated isoflavonoids
Direct Parent	4'-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 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 alkyl aryl ether isoflavanone ketone organic oxide chromone aromatic heteropolycyclic compound chromane organoheterocyclic compound 4p-methoxyisoflavonoid isoflavan benzopyran 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound anisole hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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