DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:51 UTC
Update Date	2025-03-21 18:02:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040544
Frequency	85.2
Structure
Chemical Formula	C₂₄H₂₆O₁₁
Molecular Mass	490.1475
SMILES	O=C1OCC(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C1Cc1ccc(O)c(O)c1
InChI Key	HGPZDRDYTVJDEY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	lignan glycosides
Subclass	lignan glycosides
Direct Parent	lignan glycosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dibenzylbutyrolactone lignans dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives lignan lactones monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound lignan glycoside dibenzylbutyrolactone o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid lignan lactone lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal 9,9p-epoxylignan oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester furanoid lignan secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative tetrahydrofuran lignan benzenoid phenoxy compound organooxygen compound

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