| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:13 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25NO2S |
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| Molecular Mass | 259.1606 |
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| SMILES | CCCCC=CCC(O)=NCCCCS(C)=O |
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| InChI Key | MITKODLHNZMDRF-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 | sulfoxides |
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| Subclass | sulfoxides |
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| Direct Parent | sulfoxides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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