| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:12 UTC |
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| Update Date | 2025-03-21 18:03:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046249 |
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| Frequency | 72.5 |
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| Structure | |
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| Chemical Formula | C7H6N2O4 |
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| Molecular Mass | 182.0328 |
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| SMILES | Nc1ccc([N+](=O)[O-])cc1C(=O)O |
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| InChI Key | RUCHWTKMOWXHLU-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 | nitrobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundsvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundvinylogous amideorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundnitrobenzoateamineorganooxygen compoundorganic hyponitrite |
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