| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:35 UTC |
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| Update Date | 2025-03-21 18:03:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044757 |
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| Frequency | 75.5 |
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| Structure | |
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| Chemical Formula | C8H2Cl2N2O2 |
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| Molecular Mass | 227.9493 |
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| SMILES | N#Cc1c(O)c(O)c(Cl)c(C#N)c1Cl |
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| InChI Key | PLTLBVYMHSSMRH-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 | 4-chlorocatechols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-chlorocatecholsaryl chloridesbenzonitrilesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenols |
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| Substituents | 4-chlorocatecholmonocyclic benzene moietynitrileorganochlorideorganohalogen compound3-chlorocatechol1,3-dichlorobenzene4-halophenolorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol4-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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