DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:02:37 UTC
Update Date	2025-03-25 00:33:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02068144
Frequency	0.6
Structure
Chemical Formula	C₄₂H₇₁NO₃₄
Molecular Mass	1133.3857
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(COC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(CO)O3)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	NSUGNRZOMZTKPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxepanes acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acid orthoesters carboxylic acids hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide 1,3-dioxepane beta-hydroxy aldehyde carbonyl group carboxylic acid ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives aldehyde carboxamide group dioxepane oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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