| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO5S |
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| Molecular Mass | 317.0358 |
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| SMILES | O=S(=O)(O)Oc1ccc(-c2ccc3cc(O)ccc3n2)cc1 |
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| InChI Key | CARYSXHAUFIBRL-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 | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatespolyhalopyridinessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterphenylquinolinepolyhalopyridine1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxyquinolinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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