DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:58 UTC
Update Date	2025-03-25 00:59:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235574
Frequency	0.5
Structure
Chemical Formula	C₃₃H₄₀O₁₅
Molecular Mass	676.2367
SMILES	COc1cc(CC(COC(=O)c2ccc(O)c(O)c2)C(COC2OC(C(O)O)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChI Key	UPGWPKAEWBWEQJ-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 aryl ethers alkyl glycosides anisoles benzoyl derivatives carbonyl hydrates carboxylic acid esters dibenzylbutane lignans fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds secondary alcohols m-hydroxybenzoic acid esters p-hydroxybenzoic acid alkyl esters
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety ether carbonyl hydrate aromatic heteromonocyclic compound p-hydroxybenzoic acid ester lignan glycoside benzoyl 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide benzoate ester alkyl aryl ether carboxylic acid derivative dibenzylbutane lignan skeleton saccharide organic oxide acetal oxane m-hydroxybenzoic acid ester organoheterocyclic compound alcohol benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid methoxybenzene p-hydroxybenzoic acid alkyl ester oxacycle monocarboxylic acid or derivatives organic oxygen compound anisole carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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