| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:55 UTC |
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| Update Date | 2025-03-25 01:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O5S |
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| Molecular Mass | 196.0405 |
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| SMILES | CCC(=O)OCCS(=O)(=O)OC |
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| InChI Key | XWFKVSYXOOCNEF-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 | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid esterssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl grouporganosulfur compoundcarboxylic acid derivativeorganosulfonic acid estersulfonic acid esterorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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