DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:37 UTC
Update Date	2025-03-25 00:50:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179887
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₈O₁₂
Molecular Mass	508.1581
SMILES	COc1cc(CC(COC2OC(C(=O)O)C(O)C(O)C2O)C(=O)Cc2ccc(O)c(O)c2)ccc1O
InChI Key	FPWJIYWMOSWFOR-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 alkyl aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carboxylic acids fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives ketones methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
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 alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

Showing information for DMID02179887