| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:21 UTC |
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| Update Date | 2025-03-21 18:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034561 |
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| Frequency | 104.0 |
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| Structure | |
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| Chemical Formula | C8H12O5S |
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| Molecular Mass | 220.0405 |
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| SMILES | CC(CSCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | MQIUXUWVBKZFIR-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbranched fatty acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethershort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidethia fatty acidorganic oxygen compoundthioetheralpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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