DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:47 UTC
Update Date	2025-03-21 18:30:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083234
Frequency	34.6
Structure
Chemical Formula	C₂₂H₂₂O₁₂
Molecular Mass	478.1111
SMILES	COc1cc(C=CC(=O)c2c(O)cc(O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChI Key	MIOJFVVJVGOASA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers alpha,beta-unsaturated ketones anisoles aryl ketones benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids cinnamylphenols glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid benzoyl o-glucuronide methoxyphenol monosaccharide alpha,beta-unsaturated ketone pyran carboxylic acid resorcinol ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal oxane organoheterocyclic compound alcohol methoxybenzene vinylogous acid anisole phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid cinnamylphenol alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide linear 1,3-diarylpropanoid pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid flavonoid o-glycoside hydroxycinnamic acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

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