| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:07 UTC |
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| Update Date | 2025-03-21 18:30:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081670 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO |
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| Molecular Mass | 186.9592 |
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| SMILES | N#Cc1cc(Cl)c(O)c(Cl)c1 |
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| InChI Key | YRSSHOVRSMQULE-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzonitrileshalophenolshydrocarbon derivativesnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloride2-chlorophenolnitrileorganochlorideorganohalogen compoundbenzonitrilearyl halide1,3-dichlorobenzenearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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