| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103850 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C8H18O2S |
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| Molecular Mass | 178.1028 |
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| SMILES | CCCCCCCS(C)(=O)=O |
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| InChI Key | PFJDVQSHGLRPFC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativesulfone |
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