| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:02 UTC |
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| Update Date | 2025-03-21 18:36:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110435 |
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| Frequency | 36.3 |
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| Structure | |
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| Chemical Formula | C13H9NO5S |
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| Molecular Mass | 291.0201 |
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| SMILES | O=c1[nH]c2c(OS(=O)(=O)O)cccc2c2ccccc12 |
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| InChI Key | RNDHCTQWQGLTGG-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 | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesisoquinolones and derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactampolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonearylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinedihydroquinolonepyridineorganic oxygen compoundisoquinolinesulfate-esterhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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