DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:50:30 UTC
Update Date	2025-03-24 20:29:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01466799
Frequency	0.9
Structure
Chemical Formula	C₃₃H₅₅NO₂₆
Molecular Mass	881.3012
SMILES	COC(=O)C1OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C1O
InChI Key	MTUNRRQWDZHYCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives methyl esters monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide beta-hydroxy acid organic oxide methyl ester alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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