DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 00:15:48 UTC
Update Date	2025-03-21 18:34:16 UTC
HMDB ID	HMDB0029481
Metabolite Identification
DeepMet ID	DMID00099996
Name	Isosakuranin
Frequency	27.4
Structure
Chemical Formula	C₂₂H₂₄O₁₀
Molecular Mass	448.1369
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2)cc1
InChI Key	KEEWIHDTSNESJZ-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 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanones hydrocarbon derivatives methoxybenzenes monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane primary alcohol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

Showing information for DMID00099996