| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:42 UTC |
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| Update Date | 2025-03-21 17:58:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012490 |
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| Frequency | 369.2 |
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| Structure | |
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| Chemical Formula | C8H8N2O4 |
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| Molecular Mass | 196.0484 |
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| SMILES | NC(=O)Cc1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | QKPGFMWOLHVNKY-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-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolphenylacetamidenitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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