DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:00 UTC
Update Date	2025-03-25 00:53:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201289
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₆O₁₁
Molecular Mass	478.1475
SMILES	COc1ccc(C2(C)CCc3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1O
InChI Key	QZDLZRORTMOIBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides flavans flavonoid-7-o-glycosides 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
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carboxylic acid 1-benzopyran o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid methoxybenzene anisole 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound alkyl glycoside

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