| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:00 UTC |
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| Update Date | 2025-03-21 18:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026676 |
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| Frequency | 143.0 |
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| Structure | |
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| Chemical Formula | C7H7NO2S |
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| Molecular Mass | 169.0197 |
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| SMILES | O=S1(=O)NCc2ccccc21 |
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| InChI Key | GVYVHZKTSVDMNT-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 derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
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