DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:11 UTC
Update Date	2025-03-25 00:51:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188061
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇NO₁₆S
Molecular Mass	569.1051
SMILES	CC(=O)Nc1ccc(OC2OC(COC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)C(O)C(O)C2O)cc1
InChI Key	GNOHPNCEYHNFIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals acetamides acetanilides alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acetylarylamines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	phenol ether monocyclic benzene moiety sulfuric acid monoester carbonyl group carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound o-glucuronide monosaccharide n-arylamide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal alkyl sulfate organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives acetanilide hydroxy acid carboxamide group anilide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound sulfuric acid ester

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