DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:38 UTC
Update Date	2025-03-25 00:53:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200441
Frequency	0.5
Structure
Chemical Formula	C₃₁H₃₆O₁₇
Molecular Mass	680.1952
SMILES	COc1ccc(CC2C(=O)OCC2Cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	INWPVNGIWXALJT-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	acetals alkyl aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dibenzylbutyrolactone lignans fatty acyl glycosides of mono- and disaccharides gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives lignan lactones methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans tricarboxylic acids and derivatives
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 dibenzylbutyrolactone o-glucuronide monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lignan lactone lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal 9,9p-epoxylignan oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid methoxybenzene gamma butyrolactone oxacycle organic oxygen compound pyran anisole carboxylic acid ester furanoid lignan secondary alcohol hydrocarbon derivative tetrahydrofuran lignan benzenoid phenoxy compound organooxygen compound alkyl glycoside

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