DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:38 UTC
Update Date	2025-03-25 00:56:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218979
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₀O₁₁
Molecular Mass	518.1788
SMILES	COc1ccc(CC2C(=O)OCC2Cc2cccc(O)c2)cc1OC1OC(C(=O)O)C(OC)C(O)C1O
InChI Key	GQUJXNRBJWVZSF-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles carbonyl compounds carboxylic acid esters carboxylic acids dialkyl ethers dibenzylbutyrolactone lignans dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives lignan lactones methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound lignan glycoside dibenzylbutyrolactone o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether lignan lactone lactone 1-o-glucuronide saccharide organic oxide acetal 9,9p-epoxylignan oxane organoheterocyclic compound 1,2-diol alcohol pyran carboxylic acid or derivatives tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid methoxybenzene gamma butyrolactone oxacycle organic oxygen compound pyran anisole 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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