| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H12O4S |
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| Molecular Mass | 168.0456 |
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| SMILES | CCCS(=O)(=O)OCCO |
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| InChI Key | VORQGMSDGAYDMN-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 | sulfonic acid esters |
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| Direct Parent | sulfonic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxidesorganosulfonic acid esterssulfonyls |
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| Substituents | alcoholaliphatic acyclic compoundorganosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid estersulfonic acid esterorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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