DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:05:29 UTC
Update Date	2025-03-24 20:09:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01360279
Frequency	1.0
Structure
Chemical Formula	C₄₉H₈₁N₃O₃₇
Molecular Mass	1303.4549
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(COC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)C4O)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C3NC(C)=O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	WVYFKBMGAJNOER-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 dialkyl ethers dicarboxylic acids and derivatives hemiacetals 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
Substituents	carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether n-acyl-alpha-hexosamine beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide hydrolyzable tannin c-glucuronide alcohol pyran carboxylic acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid 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 quinic acid

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