| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:06 UTC |
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| Update Date | 2025-03-21 17:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006359 |
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| Frequency | 813.5 |
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| Structure | |
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| Chemical Formula | C6H8O5S |
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| Molecular Mass | 192.0092 |
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| SMILES | O=C(O)CCSCC(=O)C(=O)O |
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| InChI Key | QCSMAXFYHMHISI-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundthioetherketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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