DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:27:10 UTC
Update Date	2025-03-21 18:39:50 UTC
HMDB ID	HMDB0128207
Metabolite Identification
DeepMet ID	DMID00127463
Name	5,6,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Frequency	20.0
Structure
Chemical Formula	C₁₅H₁₀O₈
Molecular Mass	318.0376
SMILES	O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)c(O)c(O)c12
InChI Key	PCOBUQBNVYZTBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	6-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids benzene and substituted derivatives chromones flavonoids heteroaromatic compounds hydrocarbon derivatives organic oxides organooxygen compounds oxacyclic compounds pyranones and derivatives pyrogallols and derivatives vinylogous acids
Substituents	monocyclic benzene moiety 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran pyrogallol derivative benzenetriol 6-hydroxyflavonoid heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound pyran 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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