DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:59:09 UTC
Update Date	2025-03-24 21:25:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01775508
Frequency	0.7
Structure
Chemical Formula	C₃₉H₅₂O₂₄
Molecular Mass	904.2849
SMILES	COc1cc(CC(COC2CC(OC3OC(C(=O)O)C(O)C(O)C3O)(C(=O)O)OC(C(=O)O)C2O)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChI Key	IUDSZLCLMHGAGE-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 alkyl aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dibenzylbutane lignans fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives ketals methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound lignan glycoside o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide dibenzylbutane lignan skeleton beta-hydroxy acid saccharide organic oxide acetal ketal oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid methoxybenzene oxacycle organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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