| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:54 UTC |
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| Update Date | 2025-03-21 17:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019558 |
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| Frequency | 208.8 |
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| Structure | |
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| Chemical Formula | C6H8O3S |
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| Molecular Mass | 160.0194 |
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| SMILES | C=CCSCC(=O)C(=O)O |
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| InChI Key | UPIWXTSMSMRKPH-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 | allyl sulfur compoundsalpha-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherallyl sulfur compoundorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheralpha-keto acidhydrocarbon derivativeorganooxygen compound |
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