| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:40 UTC |
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| Update Date | 2025-03-21 18:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073350 |
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| Frequency | 40.6 |
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| Structure | |
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| Chemical Formula | C7H6N2O3 |
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| Molecular Mass | 166.0378 |
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| SMILES | NC(=O)c1cccc([N+](=O)[O-])c1 |
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| InChI Key | KWAYEPXDGHYGRW-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amideallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativebenzamideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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