DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:03 UTC
Update Date	2025-03-21 18:05:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057535
Frequency	55.1
Structure
Chemical Formula	C₂₂H₂₄O₁₁
Molecular Mass	464.1319
SMILES	COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI Key	JZHVRRZJAOBJGF-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 2'-hydroxy-dihydrochalcones acetals alkyl aryl ethers alkyl-phenylketones anisoles aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives butyrophenones carboxylic acids cinnamylphenols glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone methoxyphenol benzoyl o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal oxane organoheterocyclic compound alcohol methoxybenzene phenylketone vinylogous acid anisole phenol hydrocarbon derivative phenoxy compound alkyl-phenylketone aryl ketone carbonyl group ether 2'-hydroxy-dihydrochalcone glucuronic acid or derivatives aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid cinnamylphenol alkyl aryl ether carboxylic acid derivative organic oxide linear 1,3-diarylpropanoid pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid flavonoid o-glycoside butyrophenone oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

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