| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:57 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239974 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7N3O3 |
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| Molecular Mass | 193.0487 |
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| SMILES | O=C1CNc2cc([N+](=O)[O-])ccc2N1 |
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| InChI Key | CNIILLRSFWURCG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundazacycleorganic 1,3-dipolar compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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