DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:11 UTC
Update Date	2025-03-25 00:58:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02231422
Frequency	0.5
Structure
Chemical Formula	C₃₀H₃₆O₁₄
Molecular Mass	620.2105
SMILES	CC1C(Oc2cccc(C3Oc4cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc(O)c4CC3O)c2)OC(C(=O)O)C(C)C1C
InChI Key	LYZWTAXTHKETGX-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 5-hydroxyflavonoids acetals alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives flavan-3-ols flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives 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 aromatic heteropolycyclic compound chromane oxane flavan-3-ol 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

Showing information for DMID02231422