DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:11 UTC
Update Date	2025-03-25 00:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178946
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₄O₁₂
Molecular Mass	538.205
SMILES	COc1ccc(CC(COC2OC(C(=O)O)C(O)C(O)C2O)C(CO)Cc2ccc(O)c(OC)c2)cc1O
InChI Key	SQYWVCXMOCHMED-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 carbonyl compounds carboxylic acids dibenzylbutane lignans fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols 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 1-o-glucuronide dibenzylbutane lignan skeleton beta-hydroxy acid saccharide organic oxide acetal oxane primary alcohol 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

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