| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:00 UTC |
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| Update Date | 2025-03-21 18:07:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069358 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C10H9NO6S |
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| Molecular Mass | 271.0151 |
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| SMILES | O=S(=O)(O)OCOc1cccc2ccc(O)nc12 |
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| InChI Key | UKILVCPLKQGKEF-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 | quinolones and derivatives |
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| Direct Parent | quinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherspolyhalopyridinessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compound2-halopyridinequinoloneorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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