| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:44 UTC |
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| Update Date | 2025-03-21 18:04:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049903 |
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| Frequency | 66.0 |
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| Structure | |
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| Chemical Formula | C7H4ClNO4 |
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| Molecular Mass | 200.9829 |
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| SMILES | O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1 |
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| InChI Key | DFXQXFGFOLXAPO-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 | 4-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidorganochlorideallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundaryl chloridechlorobenzenehalobenzoic acid4-halobenzoic acidorganic 1,3-dipolar compoundhalobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoatehalobenzeneorganooxygen compoundorganic hyponitrite |
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