| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:15:00 UTC |
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| Update Date | 2025-03-24 20:40:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01526242 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H9NS |
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| Molecular Mass | 127.0456 |
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| SMILES | C=CCSCCC#N |
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| InChI Key | JDWRFAIBTIBIMJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | allyl sulfur compounds |
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| Subclass | allyl sulfur compounds |
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| Direct Parent | allyl sulfur compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundnitrilesulfenyl compounddialkylthioetherallyl sulfur compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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