| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:25 UTC |
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| Update Date | 2025-03-25 00:45:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9ClN2O5 |
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| Molecular Mass | 272.02 |
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| SMILES | O=C(CC[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)O |
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| InChI Key | LUVIUDFCITUCFX-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsanilidesaryl chloridesbenzoic acidsbenzoyl derivativesbeta amino acids and derivativesc-nitro compoundscarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochlorideallyl-type 1,3-dipolar organic compoundbenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide3-halobenzoic acidc-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativesorganic 1,3-dipolar compoundhalobenzoic acid or derivativescarboxamide groupbeta amino acid or derivativesaryl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundorganic hyponitrite |
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