| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:26:29 UTC |
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| Update Date | 2025-03-21 19:16:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00265412 |
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| Frequency | 7.8 |
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| Structure | |
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| Chemical Formula | C7H12OS |
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| Molecular Mass | 144.0609 |
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| SMILES | CCC(=O)C(C)=CSC |
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| InChI Key | KJSRPHJRYHQGPV-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 | vinylogous thioesters |
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| Subclass | vinylogous thioesters |
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| Direct Parent | vinylogous thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesenoneshydrocarbon derivativesketonesorganic oxidessulfenyl compoundsthioenol ethers |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonevinylogous thioesteraliphatic acyclic compoundcarbonyl groupsulfenyl compoundalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxidethioenoletherorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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