DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:11 UTC
Update Date	2025-03-25 01:10:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02304606
Frequency	0.5
Structure
Chemical Formula	C₄₂H₆₅N₃O₂₇
Molecular Mass	1043.3805
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(=O)CCC(O)Cc4cc(O)cc(O)c4)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	RECLJNHEONJSSZ-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	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides benzene and substituted derivatives c-glucuronides carbonyl compounds carboxylic acids fatty acyl glycosides hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids resorcinols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid resorcinol n-acyl-alpha-hexosamine organic oxide acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty n-acyl glycoside 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound

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