DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:36:21 UTC
Update Date	2025-03-24 20:49:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01577986
Frequency	0.8
Structure
Chemical Formula	C₄₄H₇₃NO₃₆
Molecular Mass	1191.3912
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C1OC1(C(=O)O)C(OC2C(O)C(CO)OC(OC(C(O)CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C=O)C2O)OC(CO)C1O
InChI Key	ACPRDEJTQFNJQZ-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 alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside tetrahydrofuran aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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