DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 04:44:55 UTC
Update Date	2025-03-24 14:02:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00734466
Frequency	2.1
Structure
Chemical Formula	C₃₈H₆₂N₂O₂₉
Molecular Mass	1010.3438
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)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)C2O)(C(=O)O)CC1O
InChI Key	JLBZOTNFVGHJDQ-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 alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids cyclohexanols dialkyl ethers dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids 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 pyran carboxylic acid dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde 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 aldehyde cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside quinic acid

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