DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:56 UTC
Update Date	2025-03-25 00:49:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176039
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₆O₁₇
Molecular Mass	656.1952
SMILES	CC1OC(OC(Cc2ccc(O)c(O)c2)C(Cc2ccc(O)c(O)c2)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key	SZXYFXRYBFAKFE-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 acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl 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 beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organooxygen compound alkyl glycoside

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