| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:15 UTC |
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| Update Date | 2025-03-21 18:29:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077178 |
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| Frequency | 38.1 |
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| Structure | |
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| Chemical Formula | C7H7ClN2O4S2 |
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| Molecular Mass | 281.9536 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)CNS2(=O)=O |
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| InChI Key | LILHCXXXIBBJFM-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 | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aryl chlorideorganosulfonic acid or derivativesazacycleaminosulfonyl compoundorganochlorideorganosulfur compoundorganohalogen compound1,2-benzothiazolearyl halideorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
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