| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:07 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20ClN3OS |
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| Molecular Mass | 301.1016 |
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| SMILES | CS(=O)CCCCCNC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | DKBIAQZDPOCQPH-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 | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarboximidamidesguanidineshydrocarbon derivativesiminesorganic oxidesorganochloridesorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | aryl chloridechlorobenzeneguanidineimineorganochloridecarboximidamideorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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