DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:22:13 UTC
Update Date	2025-03-25 00:16:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01257664
Frequency	1.1
Structure
Chemical Formula	C₃₇H₆₁N₃O₂₇
Molecular Mass	979.3492
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3NC(C)=O)C2NC(C)=O)(C(=O)O)C(O)C1O
InChI Key	MWZXYRMBQRJABU-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 glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids cyclohexanols dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols quinic acids and derivatives secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide hydrolyzable tannin alcohol fatty acyl glycoside cyclohexanol aldehyde cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside quinic acid

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