DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:32 UTC
Update Date	2025-03-25 00:48:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02165959
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₇NO₁₃S
Molecular Mass	509.1203
SMILES	CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(OC(=O)CCC(O)Cc2ccc(O)c(O)c2)C1O
InChI Key	XDBLAYYFZBRGHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides alkyl sulfates benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes saccharolipids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl monocyclic benzene moiety sulfuric acid monoester carbonyl group aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide alkyl sulfate organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives carboxylic acid ester secondary alcohol sulfate-ester phenol hydrocarbon derivative benzenoid organic nitrogen compound sulfuric acid ester saccharolipid

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