| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:02 UTC |
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| Update Date | 2025-03-21 18:40:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129525 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C9H8N2O4S |
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| Molecular Mass | 240.0205 |
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| SMILES | O=C(O)CNC1=NS(=O)(=O)c2ccccc21 |
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| InChI Key | XOCALURDSXZUOM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycleamidine1,2-benzothiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compound |
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