| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:57 UTC |
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| Update Date | 2025-03-21 18:38:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122259 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C7H5ClN2O5S2 |
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| Molecular Mass | 295.9328 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)S2(=O)=O |
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| InChI Key | SMQMOASGONLBOX-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 compoundsbenzenoidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessulfonesthiazolesthiolactones |
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| Substituents | organosulfonic acid or derivativescarbonyl grouporganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundbenzo-thiazoleorganopnictogen compoundthiolactonearyl chloride1,3-benzothiazolecarbonic acid derivativeazacycleaminosulfonyl compoundaryl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganooxygen compoundsulfone |
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