| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:49 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059339 |
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| Frequency | 53.0 |
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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#Cc1c(Cl)ccc(Cl)c1O |
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| InChI Key | RYRWDDMTKWPKPS-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 | 1-hydroxy-4-unsubstituted benzenoidsaryl chloridesbenzonitrileshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrileorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenol3-halophenol3-chlorophenol1,4-dichlorobenzene1-hydroxy-4-unsubstituted benzenoidbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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