DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:53:01 UTC
Update Date	2025-03-21 18:03:40 UTC
HMDB ID	HMDB0126507
Metabolite Identification
DeepMet ID	DMID00045796
Name	3,5,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-4H-chromen-4-one
Frequency	73.4
Structure
Chemical Formula	C₁₆H₁₂O₇
Molecular Mass	316.0583
SMILES	COc1cc(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c1
InChI Key	UFFRHQQWXOAXEV-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 3-hydroxyflavonoids 5-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 methoxyphenol 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound pyran anisole 7-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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