| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:25 UTC |
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| Update Date | 2025-03-21 18:38:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120948 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C7H7ClN2O3S |
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| Molecular Mass | 233.9866 |
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| SMILES | O=S1(=O)NCNc2cc(O)c(Cl)cc21 |
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| InChI Key | TYRFAWRWNOIPPQ-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 | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
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| Substituents | organosulfonic acid or derivativesorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidearyl chlorideazacyclesecondary aminesecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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