DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:42 UTC
Update Date	2025-03-25 00:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200605
Frequency	0.5
Structure
Chemical Formula	C₃₀H₃₄O₁₈
Molecular Mass	682.1745
SMILES	COc1ccc(C2CC(=O)c3c(OC)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OC1C(O)C(O)C(O)C(O)C1C(=O)O
InChI Key	KQTGIUVHUYNTKP-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	4'-o-methylated flavonoids 5-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones cyclitols and derivatives cyclohexanols dicarboxylic acids and derivatives flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran cyclohexanol cyclitol or derivatives methoxybenzene anisole dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives flavan alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound 5-methoxyflavonoid-skeleton chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid cyclic alcohol oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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