DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:47:55 UTC
Update Date	2025-03-25 01:11:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02310991
Frequency	0.5
Structure
Chemical Formula	C₃₅H₅₇NO₃₀
Molecular Mass	971.2965
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)OC(CO)C(O)C(C(=O)C(O)CO)O3)C(O)C(O)C2O)C1O
InChI Key	WXQPGYOZOKVQDI-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 acetals acetamides acyloins alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes beta-hydroxy ketones carboxylic acid orthoesters carboxylic acids fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl beta-hydroxy ketone fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative n-acyl-alpha-hexosamine ketone organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives acyloin secondary alcohol hydrocarbon derivative organic nitrogen compound meta-dioxane alkyl glycoside

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