| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:01 UTC |
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| Update Date | 2025-03-21 17:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019814 |
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| Frequency | 205.5 |
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| Structure | |
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| Chemical Formula | C12H19NO2S |
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| Molecular Mass | 241.1136 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(C)=O |
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| InChI Key | RRTUIZRPBLDGTE-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 acyl thioesters |
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| Direct Parent | fatty acyl thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxamide groupcarboxylic acid derivativecarbothioic s-estersecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundfatty acyl thioesterthiolactoneacetamideorganooxygen compound |
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