| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222501 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO4 |
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| Molecular Mass | 231.0532 |
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| SMILES | O=C1CCc2c1c(=O)[nH]c1ccc(O)c(O)c21 |
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| InChI Key | WUCBTITZQCTHGY-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 | hydroxyquinolines |
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| Direct Parent | hydroxyquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonesvinylogous amides |
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| Substituents | lactamaryl alkyl ketonepolyhalopyridine1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinoline1-hydroxy-4-unsubstituted benzenoidhydroxyquinolinedihydroquinolonepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compoundaryl ketone |
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