| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:28 UTC |
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| Update Date | 2025-03-25 00:58:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O4S |
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| Molecular Mass | 178.03 |
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| SMILES | CC1=C(O)C(C)(C)OS1(=O)=O |
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| InChI Key | WFUIMHRBKMYOEW-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 heteromonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundsoxathioles |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acid estersulfonic acid esteroxacycleorganic oxideorganic oxygen compound1,2-oxathiolealiphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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