| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H4Cl3NO3 |
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| Molecular Mass | 254.9257 |
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| SMILES | NC(=O)c1c(Cl)c(O)c(O)c(Cl)c1Cl |
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| InChI Key | ISWZCJBEPMVPBC-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 | 3-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivatives3-chlorocatechols4-chlorocatecholsaryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolsprimary carboxylic acid amidesvinylogous halides |
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| Substituents | primary carboxylic acid amide4-chlorocatechol3-halobenzoic acid or derivativesorganochloridebenzoylchlorocatecholcarboxylic acid derivativeorganohalogen compound3-chlorocatecholbenzamidecatecholorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol4-chlorophenolcarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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