DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:25 UTC
Update Date	2025-03-25 00:46:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154499
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₃NO₁₁
Molecular Mass	477.1271
SMILES	COc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(C(N)=O)C(O)C(O)C3O)O2)cc1O
InChI Key	CDVVGNBJVPGDFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid 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 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones carboxylic acids and derivatives chromones flavanones hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds primary carboxylic acid amides pyran carboxylic acids pyrans secondary alcohols
Substituents	phenol ether monocyclic benzene moiety aryl alkyl ketone 1-benzopyran flavanone methoxyphenol monosaccharide ketone saccharide acetal chromone organonitrogen compound oxane organoheterocyclic compound alcohol benzopyran methoxybenzene anisole 7-hydroxyflavonoid 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative phenoxy compound aryl ketone primary carboxylic acid amide carbonyl group ether flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organopnictogen compound chromane pyran carboxylic acid or derivatives flavonoid-5-o-glycoside 1-hydroxy-4-unsubstituted benzenoid carboxamide group flavonoid o-glycoside 3'-hydroxyflavonoid oxacycle organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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