| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:17 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051138 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C9H2ClN3O2 |
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| Molecular Mass | 218.9836 |
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| SMILES | N#Cc1c(O)c(C#N)c(Cl)c(C#N)c1O |
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| InChI Key | DRGSBRQCDLBWCB-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 | aryl chloridesbenzonitrileschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzene3-halophenol3-chlorophenolmonocyclic benzene moietynitrileorganochlorideorganohalogen compoundbenzonitrileresorcinolaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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