| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8N2O4S |
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| Molecular Mass | 252.0205 |
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| SMILES | N#Cc1ccc2c(c1)S(=O)(=O)CC(C(=O)O)N2 |
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| InChI Key | REIJUQRYCIRPTM-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfones |
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| Substituents | carbonyl groupnitrilecarboxylic acidamino acid or derivativesamino acidbenzothiazinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilepara-thiazineazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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