DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:57 UTC
Update Date	2025-03-25 00:46:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157903
Frequency	0.5
Structure
Chemical Formula	C₁₀H₇NO₁₀S₂
Molecular Mass	364.9511
SMILES	O=C(O)c1cc(=O)c2c(OS(=O)(=O)O)ccc(S(=O)(=O)O)c2[nH]1
InChI Key	LLJKPLOGPHFGLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinoline carboxylic acids
Direct Parent	quinoline carboxylic acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds 2-halopyridines arylsulfates arylsulfonic acids and derivatives azacyclic compounds benzenoids carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organooxygen compounds organopnictogen compounds organosulfonic acids polyhalopyridines pyridine-2-carboxylic acids sulfonyls sulfuric acid monoesters vinylogous amides
Substituents	pyridine carboxylic acid or derivatives organosulfonic acid or derivatives sulfuric acid monoester carboxylic acid polyhalopyridine organosulfonic acid organosulfur compound carboxylic acid derivative organic oxide pyridine-2-carboxylic acid aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound arylsulfate 2-halopyridine vinylogous amide organic sulfuric acid or derivatives 1-sulfo,2-unsubstituted aromatic compound azacycle heteroaromatic compound hydroxypyridine dihydroquinoline monocarboxylic acid or derivatives dihydroquinolone sulfonyl pyridine organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives pyridine carboxylic acid quinoline-2-carboxylic acid sulfate-ester hydrocarbon derivative benzenoid organic nitrogen compound sulfuric acid ester organooxygen compound

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