| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:50 UTC |
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| Update Date | 2025-03-21 18:41:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133718 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C7H10O4S |
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| Molecular Mass | 190.03 |
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| SMILES | CSCCC(=CC(=O)O)C(=O)O |
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| InChI Key | FCGNCJNTFRMBQY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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