DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:18:36 UTC
Update Date	2025-03-21 18:35:43 UTC
HMDB ID	HMDB0126509
Metabolite Identification
DeepMet ID	DMID00106930
Name	3,5,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	25.2
Structure
Chemical Formula	C₁₆H₁₄O₇
Molecular Mass	318.074
SMILES	COc1cc(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)c1
InChI Key	LTIFCEXKYOPREW-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 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanonols hydrocarbon derivatives methoxybenzenes methoxyphenols 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 methoxyphenol 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 3p-methoxyflavonoid-skeleton 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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