| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:33 UTC |
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| Update Date | 2025-03-25 00:55:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO5S |
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| Molecular Mass | 269.0358 |
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| SMILES | CCc1c[nH]c2c(OS(=O)(=O)O)cccc2c1=O |
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| InChI Key | RZJYDFIBYBYXSA-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 | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinedihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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