| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:57:24 UTC |
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| Update Date | 2025-03-24 22:26:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01196264 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C7H9NS |
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| Molecular Mass | 139.0456 |
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| SMILES | CC1=C(C#N)CCSC1 |
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| InChI Key | KPHVEHWQIWPEKB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiopyrans |
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| Subclass | thiopyrans |
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| Direct Parent | thiopyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilethioetherdialkylthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiopyrancarbonitrile |
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