| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:02 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO4S |
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| Molecular Mass | 225.0096 |
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| SMILES | O=S(=O)(O)c1ccc(O)c2ccncc12 |
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| InChI Key | DRLXTFQZVWWPBL-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinessulfonyls |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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