DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:59:05 UTC
Update Date	2025-03-21 18:05:56 UTC
HMDB ID	HMDB0130400
Metabolite Identification
DeepMet ID	DMID00059987
Name	3,5,7-trihydroxy-2-(2,3,4-trihydroxyphenyl)-1λ⁴-chromen-1-ylium
Frequency	52.3
Structure
Chemical Formula	C₁₅H₁₁O₇+
Molecular Mass	303.0499
SMILES	Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3O)[o+]c2c1
InChI Key	RPCGLCONYKFGDK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	3-hydroxyflavonoids
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 5-unsubstituted pyrrogallols 7-hydroxyflavonoids anthocyanidins benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives organic cations organooxygen compounds oxacyclic compounds
Substituents	3-hydroxyflavonoid monocyclic benzene moiety 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 5-unsubstituted pyrrogallol aromatic heteropolycyclic compound anthocyanidin organic cation organoheterocyclic compound benzopyran pyrogallol derivative benzenetriol heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID00059987