DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:19 UTC
Update Date	2025-03-21 18:05:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055797
Frequency	57.3
Structure
Chemical Formula	C₂₄H₂₆O₁₁
Molecular Mass	490.1475
SMILES	O=C(O)C1OC(Oc2ccc(C3OCC4C(c5ccc(O)c(O)c5)OCC34)cc2)C(O)C(O)C1O
InChI Key	AYQOSYGHPXXMSG-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl glycosides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers fatty acyl glycosides of mono- and disaccharides furan lignans furofuran lignans furofurans glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives furofuran lignan skeleton lignan glycoside o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound furofuran oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle furan lignan skeleton monocarboxylic acid or derivatives organic oxygen compound pyran furanoid lignan secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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