| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:13:21 UTC |
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| Update Date | 2025-03-21 18:33:03 UTC |
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| HMDB ID | HMDB0243978 |
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| Metabolite Identification |
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| DeepMet ID | DMID00094043 |
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| Name | 1-Octanesulfonic acid |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C8H18O3S |
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| Molecular Mass | 194.0977 |
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| SMILES | CCCCCCCCS(=O)(=O)O |
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| InChI Key | WLGDAKIJYPIYLR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganic oxidesulfonylorganic oxygen compoundorganosulfonic acidhydrocarbon derivativeorganosulfur compound |
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