| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:08 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136646 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C8H11N2O3+ |
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| Molecular Mass | 183.0764 |
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| SMILES | NCCc1ccc(O)c([N+](=O)O)c1 |
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| InChI Key | WYWCAHMOKALICQ-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 benzenoidshydrocarbon derivativesmonoalkylaminesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundmonocyclic benzene moietyallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic oxoazaniumnitrophenolorganooxygen compoundorganic hyponitritenitrobenzene |
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