| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H3ClN2O2 |
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| Molecular Mass | 193.9883 |
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| SMILES | N#Cc1cc(O)c(Cl)c(O)c1C#N |
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| InChI Key | DTWLYWSHQUSBCU-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesbenzonitrileschlorobenzeneshalophenolshydrocarbon derivativesnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietynitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundresorcinolorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenolchlorobenzene1-hydroxy-4-unsubstituted benzenoidbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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