DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:56:11 UTC
Update Date	2025-03-25 00:30:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02053029
Frequency	0.6
Structure
Chemical Formula	C₃₈H₆₁N₃O₂₇
Molecular Mass	991.3492
SMILES	CC(=O)NC1C(O)CC(OCC2OC(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)OC(CO)C2O)(C(=O)O)CC1C(=O)O
InChI Key	UIFLDURNFBJOBR-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 acid orthoesters carboxylic acids cyclohexanols dialkyl ethers dicarboxylic 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 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 ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative 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 organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound alkyl glycoside quinic acid

Showing information for DMID02053029