| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10N2O2S |
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| Molecular Mass | 258.0463 |
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| SMILES | N#Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1 |
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| InChI Key | LPESBVCEXRGQGA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonyl compoundsbenzonitrileshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesnitrilebenzenesulfonamideaminosulfonyl compoundorganosulfur compoundbenzonitrileorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilebenzenesulfonyl group |
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