| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:35 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4 |
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| Molecular Mass | 184.0484 |
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| SMILES | NCc1ccc([N+](=O)[O-])c(O)c1O |
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| InChI Key | QYSHLBILBGOTNU-UHFFFAOYSA-N |
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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-4-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 compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganic 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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