DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:53:45 UTC
Update Date	2025-03-21 18:03:57 UTC
HMDB ID	HMDB0126496
Metabolite Identification
DeepMet ID	DMID00047561
Name	3,5,6,7-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Frequency	70.0
Structure
Chemical Formula	C₁₆H₁₂O₈
Molecular Mass	332.0532
SMILES	COc1cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)ccc1O
InChI Key	APUSTZNOWHEAEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavones
Direct Parent	flavonols
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 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	3-hydroxyflavone phenol ether monocyclic benzene moiety 3-hydroxyflavonoid 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

Showing information for DMID00047561