| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238713 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O8S |
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| Molecular Mass | 304.0253 |
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| SMILES | O=C(O)CSC1CC(C(=O)O)=CC(=O)C1(O)CC(=O)O |
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| InChI Key | PNBKHJNQYVSMKL-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinscarboxylic acidscyclohexenonesdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | alcoholfatty acylcyclohexenonecarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertricarboxylic acid or derivativescyclic ketoneorganosulfur compoundketonetertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioetheracyloinaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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