DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:16:49 UTC
Update Date	2025-03-25 00:38:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02101846
Frequency	0.6
Structure
Chemical Formula	C₃₄H₅₅N₃O₂₄
Molecular Mass	889.3176
SMILES	CC(=O)NC1C(O)CC(O)(C(=O)O)CC1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1NC(C)=O
InChI Key	NJUBHGIXNZIMPR-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 alpha hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acids cyclohexanols dicarboxylic acids and derivatives 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 tertiary alcohols
Substituents	carbonyl group carboxylic acid alpha-hydroxy acid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 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 cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide tertiary alcohol organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound quinic acid

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