DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:57:59 UTC
Update Date	2025-03-21 18:05:31 UTC
HMDB ID	HMDB0136932
Metabolite Identification
DeepMet ID	DMID00057369
Name	3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	55.3
Structure
Chemical Formula	C₁₇H₁₆O₈
Molecular Mass	348.0845
SMILES	COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc(OC)c1O
InChI Key	OGGVSBOPKJAJQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	epigallocatechins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones chromones dimethoxybenzenes flavanonols hydrocarbon derivatives 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 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether ketone dimethoxybenzene organic oxide chromone aromatic heteropolycyclic compound chromane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid flavanonol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle vinylogous acid organic oxygen compound m-dimethoxybenzene anisole 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound epigallocatechin organooxygen compound aryl ketone

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