| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:20 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H14O4S |
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| Molecular Mass | 194.0613 |
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| SMILES | CC(C)CCC(=O)OS(C)(=O)=O |
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| InChI Key | MPQCTYXJMRVYKV-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 and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl grouporganosulfur compoundcarboxylic acid derivativemethanesulfonateorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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