DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:18 UTC
Update Date	2025-03-25 00:50:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179205
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₃NO₁₂
Molecular Mass	493.122
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CON=O)C(O)C(O)C4O)cc3O2)cc1O
InChI Key	KONVGKPQVDLCNM-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'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers alkyl nitrites anisoles aryl alkyl ketones chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides nitrite esters organic o-nitroso compounds organic nitrogen compounds organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan methoxyphenol monosaccharide 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether alkyl nitrite ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane nitrite ester oxane organoheterocyclic compound alcohol flavonoid-7-o-glycoside organic nitroso compound benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene organic nitrite 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organic o-nitroso compound organooxygen compound aryl ketone

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