| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:47:53 UTC |
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| Update Date | 2025-03-24 21:20:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01749190 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H9NOS |
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| Molecular Mass | 143.0405 |
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| SMILES | CC1=C(C(N)=O)CCS1 |
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| InChI Key | LADAVNBZYMAZJX-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 | carbonyl compoundscarboxylic acids and derivativesdihydrothiopheneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesthioenol ethers |
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| Substituents | primary carboxylic acid amidevinylogous thioestercarbonyl group2,3-dihydrothiophenecarboxamide groupcarboxylic acid derivativeorganic oxidethioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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