DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:41:17 UTC
Update Date	2025-03-24 17:55:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01013518
Frequency	1.4
Structure
Chemical Formula	C₄₀H₆₆N₂O₃₃
Molecular Mass	1102.3548
SMILES	CC(=O)NC1C(O)CC(OCC2OC(C(O)C(O)CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3NC(C)=O)(C(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	MJLQQZFDLQIRCG-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	1,3-dioxanes acetamides alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes c-glucuronides carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides 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 carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound meta-dioxane alkyl glycoside

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