| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:37 UTC |
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| Update Date | 2025-03-25 01:00:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4S |
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| Molecular Mass | 239.0252 |
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| SMILES | CC(O)C(=O)C1=NS(=O)(=O)c2ccccc21 |
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| InChI Key | AACCOGIPAYMVTE-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 | acyloinsazacyclic compoundsbenzenoidshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivativessecondary alcohols |
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| Substituents | alcoholorganosulfonic acid or derivativescarbonyl groupazacycle1,2-benzothiazoleketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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