DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:34:43 UTC
Update Date	2025-03-21 17:56:43 UTC
HMDB ID	HMDB0125117
Metabolite Identification
DeepMet ID	DMID00003168
Name	3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium
Frequency	1860.1
Structure
Chemical Formula	C₁₆H₁₃O₆+
Molecular Mass	301.0707
SMILES	COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O
InChI Key	XFDQJKDGGOEYPI-UHFFFAOYSA-O
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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles anthocyanidins heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols organic cations oxacyclic compounds phenoxy compounds
Substituents	phenol ether 3-hydroxyflavonoid monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether aromatic heteropolycyclic compound anthocyanidin organic cation organoheterocyclic compound benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID00003168