| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:19 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5S |
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| Molecular Mass | 220.0405 |
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| SMILES | CC(C)OC(=O)CSCC(=O)C(=O)O |
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| InChI Key | PNLQNIZTSMQLJE-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 acid esterscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundthioetherketo acidcarboxylic acid esteralpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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