| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:54 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159982 |
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| Frequency | 0.5 |
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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=S(=O)(O)Oc1ccc2c(c1)ncc1ccc(O)cc12 |
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| InChI Key | TVBVZBFBKXPZRQ-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-hydroxy-2-unsubstituted benzenoids2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundisoquinolinesulfate-esterhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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