Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:13 UTC |
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Update Date | 2025-03-25 00:51:16 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02185809 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H10N2O3S |
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Molecular Mass | 274.0412 |
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SMILES | Nc1nc2c(S(=O)(=O)O)cccc2c2ccccc12 |
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InChI Key | AGKQHUYKSYHJFG-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | quinolines and derivatives |
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Subclass | benzoquinolines |
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Direct Parent | phenanthridines and derivatives |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsisoquinolines and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidspolyhalopyridinesprimary aminessulfonyls |
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Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfonic acidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactam1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesisoquinolinehydrocarbon derivativebenzenoidphenanthridineprimary amineorganic nitrogen compoundamine |
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