| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:54 UTC |
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| Update Date | 2025-03-25 01:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20O4S |
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| Molecular Mass | 248.1082 |
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| SMILES | CCCCCC(O)CCSCC(=O)C(=O)O |
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| InChI Key | YCAUBADJFHHPGT-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 | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheralpha-keto acidsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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