DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:49 UTC
Update Date	2025-03-25 00:50:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180395
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₂O₁₄
Molecular Mass	592.1792
SMILES	COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C1COC(=O)C1C2c1cc(OC)c(OC)c(OC)c1
InChI Key	QQTWKNNNNUFLIE-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 heteropolycyclic compounds
Alternative Parents	acetals alkyl aryl ethers alkyl glycosides anisoles aryltetralin lignans beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives lignan lactones methoxybenzenes monosaccharides naphthofurans o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans tetralins
Substituents	tetralin fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives lignan glycoside o-glucuronide monosaccharide 1-aryltetralin lignan alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lignan lactone lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives naphthofuran tetrahydrofuran hydroxy acid methoxybenzene gamma butyrolactone oxacycle organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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