DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:12:26 UTC
Update Date	2025-03-24 22:36:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01233816
Frequency	1.1
Structure
Chemical Formula	C₂₉H₄₆N₂O₃₀S₃
Molecular Mass	998.1298
SMILES	CC(=O)NC1C(O)CC(OC2C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C2O)(C(=O)O)CC1C(=O)O
InChI Key	HIVLSQFKCWNFEL-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	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids cyclic alcohols and derivatives cyclohexanols dialkyl ethers dicarboxylic acids and derivatives hemiacetals hydrocarbon derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes quinic acids and derivatives secondary carboxylic acid amides sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide hydrolyzable tannin alcohol organic sulfuric acid or derivatives tetrahydrofuran cyclohexanol cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound quinic acid

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