DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:36:20 UTC
Update Date	2025-03-21 17:57:17 UTC
HMDB ID	HMDB0127498
Metabolite Identification
DeepMet ID	DMID00006922
Name	3,5,7-trihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	738.9
Structure
Chemical Formula	C₁₆H₁₄O₆
Molecular Mass	302.079
SMILES	COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1
InChI Key	CKDYDMSDCNQHEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanonols hydrocarbon derivatives methoxybenzenes organic oxides oxacyclic compounds phenoxy compounds secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid 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 alcohol benzopyran 5-hydroxyflavonoid flavanonol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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