| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8Cl2N2S |
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| Molecular Mass | 245.9785 |
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| SMILES | N#Cc1ccc(Cl)c(SCCN)c1Cl |
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| InChI Key | JVGBCOOQXLIXLF-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 | alkylarylthioethersaryl chloridesbenzonitrileshydrocarbon derivativesmonoalkylaminesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | nitrileorganochloridealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioether1,3-dichlorobenzenethiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridesulfenyl compoundbenzonitrilearyl halidearomatic homomonocyclic compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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