DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:52 UTC
Update Date	2025-03-25 00:53:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198619
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₄O₁₇
Molecular Mass	654.1796
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3C(C)C2O)cc1
InChI Key	LOCWHFBPPCPMHC-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 3-hydroxyflavonoids 4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles 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 methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes 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 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 hydroxy acid methoxybenzene oxacycle organic oxygen compound pyran anisole flavonoid-7-o-glucuronide secondary alcohol dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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