DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:26:15 UTC
Update Date	2025-03-21 18:39:21 UTC
HMDB ID	HMDB0127468
Metabolite Identification
DeepMet ID	DMID00125237
Name	3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Frequency	20.5
Structure
Chemical Formula	C₂₁H₂₀O₁₁
Molecular Mass	448.1006
SMILES	O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12
InChI Key	YPWHZCPMOQGCDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals benzene and substituted derivatives chromones flavonoids flavonols heteroaromatic compounds hydrocarbon derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers primary alcohols pyranones and derivatives secondary alcohols vinylogous acids
Substituents	3-hydroxyflavone phenol ether monocyclic benzene moiety 3-hydroxyflavonoid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide acetal chromone aromatic heteropolycyclic compound pyranone oxane primary alcohol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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