DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:22:47 UTC
Update Date	2025-03-25 01:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02531700
Frequency	0.5
Structure
Chemical Formula	C₄₆H₇₄N₄O₃₃
Molecular Mass	1210.4235
SMILES	CC(=O)NC1C(O)CC(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2NC(C)=O)(C(=O)O)C(O)C1CO
InChI Key	WENAZWMSCZCULU-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	acetamides beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acids cyclohexanols fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids quinic acids and derivatives secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide hydrolyzable tannin c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound quinic acid

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