| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:36 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO8S |
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| Molecular Mass | 317.0205 |
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| SMILES | O=C(O)CC1c2ccc(OS(=O)(=O)O)cc2NC(=O)C1O |
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| InChI Key | ZXWXYKKZHZZICI-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 | arylsulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinolineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatetetrahydroquinolinealcoholtetrahydroquinoloneorganic sulfuric acid or derivativesazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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