DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:52:53 UTC
Update Date	2025-03-21 18:03:37 UTC
HMDB ID	HMDB0130318
Metabolite Identification
DeepMet ID	DMID00045502
Name	5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Frequency	74.0
Structure
Chemical Formula	C₁₆H₁₂O₇
Molecular Mass	316.0583
SMILES	COc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1O
InChI Key	OZVBXGBZPZBKJO-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles chromones flavonoids heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols organic oxides oxacyclic compounds phenoxy compounds pyranones and derivatives vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran 6-hydroxyflavonoid heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle vinylogous acid organic oxygen compound pyran anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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