DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:50:40 UTC
Update Date	2025-03-25 01:35:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02456958
Frequency	0.5
Structure
Chemical Formula	C₄₃H₆₉N₃O₃₃
Molecular Mass	1155.3813
SMILES	CC(=O)NC1OC(CO)C(O)C(OC2OC(CO)C(O)C(COC3(C(=O)O)CC(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)O2)C1O
InChI Key	BWDOMSMNLMLZRE-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 acetamides beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acid orthoesters carboxylic acids cyclohexanols dialkyl ethers hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids quinic acids and derivatives secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	carbonyl group ether carboxylic acid ortho ester monosaccharide tricarboxylic acid or derivatives carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative 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 hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound quinic acid

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