| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:29 UTC |
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| Update Date | 2025-03-25 00:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229823 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O2S |
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| Molecular Mass | 240.1184 |
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| SMILES | CCCC=CC=CC(=O)SCCC(=O)CC |
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| InChI Key | RXSHLGPCWLNKKO-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 | carbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterketoneorganic oxideorganic oxygen compoundhydrocarbon derivativefatty acyl thioesterthiolactoneorganooxygen compound |
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