DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:26 UTC
Update Date	2025-03-21 18:02:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00037211
Frequency	94.7
Structure
Chemical Formula	C₂₄H₂₆O₁₀
Molecular Mass	474.1526
SMILES	O=C1OCC(Cc2cccc(O)c2)C1Cc1cccc(OC2C(O)OC(C(=O)O)C(O)C2O)c1
InChI Key	VNBDGZZFEMQWQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	furanoid lignans
Subclass	tetrahydrofuran lignans
Direct Parent	dibenzylbutyrolactone lignans
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hemiacetals hydrocarbon derivatives lignan lactones monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound dibenzylbutyrolactone 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lignan lactone lactone beta-hydroxy acid saccharide organic oxide hemiacetal oxane organoheterocyclic compound 1,2-diol alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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