| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:55 UTC |
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| Update Date | 2025-03-21 17:58:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015226 |
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| Frequency | 286.3 |
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| Structure | |
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| Chemical Formula | C7H5NO5 |
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| Molecular Mass | 183.0168 |
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| SMILES | O=C(O)c1cccc([N+](=O)[O-])c1O |
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| InChI Key | WWWFHFGUOIQNJC-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 compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssalicylic acidsvinylogous acids |
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| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylsalicylic acidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
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