| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:31 UTC |
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| Update Date | 2025-03-21 18:32:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089601 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C9HCl2N3O |
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| Molecular Mass | 236.9497 |
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| SMILES | N#Cc1c(Cl)c(O)c(C#N)c(C#N)c1Cl |
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| InChI Key | YGSSCQNAINSFHU-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 compoundsp-chlorophenols |
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| Substituents | nitrileorganochlorideorganohalogen compound1,3-dichlorobenzene4-halophenolorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenol4-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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