| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:12:29 UTC |
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| Update Date | 2025-03-24 21:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01807231 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C3H3ClN2S |
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| Molecular Mass | 133.9705 |
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| SMILES | S=c1[nH]cc(Cl)[nH]1 |
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| InChI Key | RCCJYHWXOHCTNK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | aryl chloridethioureaaromatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundimidazole-2-thioneorganosulfur compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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