DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:00:27 UTC
Update Date	2025-03-24 21:52:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01920508
Frequency	0.6
Structure
Chemical Formula	C₄₀H₆₇N₃O₂₈
Molecular Mass	1037.3911
SMILES	CC(=O)NC1C(O)CC(OCC2OC(CO)C(O)C(OC3C(O)C(NC(C)=O)C(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(NC(C)=O)C3O)O2)(C(=O)O)CC1C(O)C(O)CO
InChI Key	PEKLLWHINXPOJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids cyclohexanols 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 quinic acids and derivatives secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide hydrolyzable tannin alcohol fatty acyl glycoside cyclohexanol aldehyde cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound alkyl glycoside quinic acid

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