| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:14 UTC |
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| Update Date | 2025-03-21 18:36:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108477 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C9H7NO5S |
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| Molecular Mass | 241.0045 |
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| SMILES | O=c1[nH]cc(OS(=O)(=O)O)c2ccccc12 |
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| InChI Key | UNBWKQHUKPILCL-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactampolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonearylsulfateorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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