| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:40 UTC |
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| Update Date | 2025-03-21 18:32:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092411 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C8H12O7S |
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| Molecular Mass | 252.0304 |
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| SMILES | O=C(O)CSCCC(O)(CC(=O)O)C(=O)O |
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| InChI Key | KKPPUMVQDOLAAH-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 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 acidtricarboxylic acid or derivativeshydroxy acidorganosulfur compoundtertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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