| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:46 UTC |
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| Update Date | 2025-03-21 18:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035556 |
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| Frequency | 100.1 |
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| Structure | |
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| Chemical Formula | C7H9NO2S |
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| Molecular Mass | 171.0354 |
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| SMILES | CS(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | XJEVFFNOMKXBLU-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfones |
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| Substituents | organosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminesulfonebenzenesulfonyl group |
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