DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:00:04 UTC
Update Date	2025-03-24 20:07:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01347548
Frequency	1.0
Structure
Chemical Formula	C₃₉H₄₄O₃₀
Molecular Mass	992.1917
SMILES	O=C1CC(c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)Oc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21
InChI Key	YLTRDQOHTPSCIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-8-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones flavonoid-8-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetracarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide flavonoid-8-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran 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 chromane pyran carboxylic acid or derivatives tetracarboxylic acid or derivatives hydroxy acid flavonoid-8-o-glycoside oxacycle organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

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