| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:19 UTC |
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| Update Date | 2025-03-21 18:05:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058188 |
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| Frequency | 54.4 |
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| Structure | |
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| Chemical Formula | C7H12O3S |
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| Molecular Mass | 176.0507 |
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| SMILES | CCCC=CC=CS(=O)(=O)O |
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| InChI Key | XNMXUTQIZXZMHU-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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