DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:02 UTC
Update Date	2025-03-21 18:33:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00098154
Frequency	28.1
Structure
Chemical Formula	C₂₇H₃₀O₁₈
Molecular Mass	642.1432
SMILES	O=C(O)C1OC(Oc2ccc(C3Oc4cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc(O)c4C(O)C3O)cc2)C(O)C(O)C1O
InChI Key	VOONKBDBELDIFY-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-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives leucoanthocyanidins monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal 4-hydroxyflavonoid aromatic heteropolycyclic compound leucoanthocyanidin-skeleton chromane oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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