DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:11:59 UTC
Update Date	2025-03-24 19:56:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01086146
Frequency	1.3
Structure
Chemical Formula	C₅₂H₈₉NO₃₈
Molecular Mass	1335.5063
SMILES	CC(=O)NC1C(OC2C(C)C(OC(C(O)CO)C(O)C(O)C=O)OC(COC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(CO)O3)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O
InChI Key	JLODLSALZJMATL-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-dioxepanes acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acid orthoesters carboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide 1,3-dioxepane beta-hydroxy aldehyde carbonyl group ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative n-acyl-alpha-hexosamine 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 dioxepane oxacycle secondary carboxylic acid amide secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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