| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:54 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O9S |
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| Molecular Mass | 282.0046 |
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| SMILES | O=C(O)CC(SCC(O)(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | GKGMXTGFXYICLL-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidtetracarboxylic acid or derivativeshydroxy acidorganosulfur compoundtertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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