| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:06 UTC |
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| Update Date | 2025-03-21 18:38:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122615 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO3S |
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| Molecular Mass | 250.9211 |
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| SMILES | O=S1(=O)N=C(O)c2cc(Cl)c(Cl)cc21 |
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| InChI Key | MMCXSPNNVXIVIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | aryl chlorideorganosulfonic acid or derivativesazacycleorganochlorideorganohalogen compound1,2-benzothiazolearyl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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