DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:52:16 UTC
Update Date	2025-03-25 00:27:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01328711
Frequency	1.0
Structure
Chemical Formula	C₄₇H₈₀N₂O₃₆
Molecular Mass	1248.4491
SMILES	CC(=O)NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)C(=O)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI Key	NUNVZTYMYNNIOO-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 alanine and derivatives alkyl glycosides alpha amino acids alpha-hydroxyaldehydes amino acids beta-hydroxy aldehydes carboxylic acids dialkylamines fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol secondary aliphatic amine fatty acyl glycoside aldehyde secondary amine carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol alanine or derivatives hydrocarbon derivative organic nitrogen compound amine alkyl glycoside

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