| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N2O2S |
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| Molecular Mass | 194.015 |
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| SMILES | N#Cc1ccc2c(c1)NS(=O)(=O)C2 |
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| InChI Key | BIWCGRVBWURACC-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 | azacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesnitrileazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amidecarbonitrile |
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