| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:17 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O5 |
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| Molecular Mass | 224.0433 |
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| SMILES | O=C1Nc2ccc([N+](=O)[O-])cc2C(O)C1O |
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| InChI Key | JYYINNOGTMLWIC-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 | nitroquinolines and derivatives |
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| Direct Parent | nitroquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroquinolinearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumtetrahydroquinoline1,2-diolnitroaromatic compoundalcoholquinolonetetrahydroquinoloneazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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