| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101670 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C9H12O2S |
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| Molecular Mass | 184.0558 |
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| SMILES | Cc1ccc(CS(C)(=O)=O)cc1 |
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| InChI Key | SITMKUXMSQMJGR-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessulfones |
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| Substituents | aromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeorganosulfur compoundtoluenesulfone |
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