| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:02 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O5+ |
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| Molecular Mass | 283.1288 |
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| SMILES | C[N+](C)(C)C(CCc1ccc(O)c([N+](=O)[O-])c1)C(=O)O |
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| InChI Key | KEYNUDRRGQBMAB-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | nitrophenols |
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| Direct Parent | nitrophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic nitro compoundorganic oxidec-nitro compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniumorganic saltnitrophenolnitrobenzenenitroaromatic compoundtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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