| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:46:16 UTC |
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| Update Date | 2025-03-21 21:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00452846 |
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| Frequency | 3.9 |
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| Structure | |
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| Chemical Formula | C4H5NOS |
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| Molecular Mass | 115.0092 |
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| SMILES | OC1CC1N=C=S |
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| InChI Key | ODPUXJNXNRGYMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | cyclic alcohols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | isothiocyanateorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativecyclopropanolorganic nitrogen compound |
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