DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:05:09 UTC
Update Date	2025-03-25 01:18:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02351296
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₂N₂O₃₀S₂
Molecular Mass	996.2046
SMILES	CC(=O)NC1C(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)C2O)OC1OC1C(O)C(O)OC(COS(=O)(=O)O)C1O
InChI Key	BETVJEUXVAUFCF-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 acetals acetamides alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclohexanols dialkyl ethers hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols quinic acids and derivatives secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether beta-hydroxy acid saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide hydrolyzable tannin alcohol organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane organooxygen compound quinic acid

Showing information for DMID02351296