| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:42 UTC |
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| Update Date | 2025-03-21 18:38:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119326 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C7H12O4S |
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| Molecular Mass | 192.0456 |
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| SMILES | CCCOC(=O)CSCC(=O)O |
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| InChI Key | QVVMAOOIIFDBPN-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 | thiodiacetic acid 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 compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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