DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:32 UTC
Update Date	2025-03-25 00:53:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202473
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₄N₂O₆S
Molecular Mass	374.0573
SMILES	O=C(O)c1ccc(NCc2cnc3c(S(=O)(=O)O)cccc3c2O)cc1
InChI Key	PJLISXOCTQETGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinolines and derivatives
Direct Parent	quinolines and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds 2-halopyridines amino acids arylsulfonic acids and derivatives azacyclic compounds benzoic acids benzoyl derivatives carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfonic acids phenylalkylamines polyhalopyridines secondary alkylarylamines sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carboxylic acid amino acid or derivatives amino acid polyhalopyridine organosulfonic acid benzoyl organosulfur compound carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline organopnictogen compound 2-halopyridine benzoic acid 1-sulfo,2-unsubstituted aromatic compound azacycle heteroaromatic compound hydroxypyridine benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives sulfonyl pyridine organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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