| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:58 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078944 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C7H10OS |
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| Molecular Mass | 142.0452 |
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| SMILES | CC(=O)C1=C(C)SCC1 |
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| InChI Key | LOMHCVXUUASYOE-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 heteromonocyclic compounds |
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| Alternative Parents | dihydrothiopheneshydrocarbon derivativesketonesorganic oxidesthioenol ethers |
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| Substituents | ketonevinylogous thioestercarbonyl grouporganic oxidethioenoletherorganic oxygen compound2,3-dihydrothiophenealiphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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