DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:48 UTC
Update Date	2025-03-25 00:47:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164243
Frequency	0.5
Structure
Chemical Formula	C₂₅H₄₁NO₂₂
Molecular Mass	707.212
SMILES	CC(=O)NC1C(OC2(OC3OC(C(=O)O)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	AASUESVJXFEFDZ-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acid orthoesters carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives ortho ester o-glucuronide monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide beta-hydroxy acid organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative organic nitrogen compound

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