| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:06 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4S |
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| Molecular Mass | 206.0613 |
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| SMILES | CC(C)OC(=O)CSCCC(=O)O |
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| InChI Key | SHDOJXLLBQKMFF-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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