DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:31 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206977
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₀O₁₀
Molecular Mass	478.1839
SMILES	O=C(O)C1OC(OCC(Cc2ccc(O)cc2)C(CO)Cc2cccc(O)c2)C(O)C(O)C1O
InChI Key	YEORSRZCRAWZAX-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 glycosides benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dibenzylbutane lignans fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound lignan glycoside o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide 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 oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound alkyl glycoside

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