| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:31:42 UTC |
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| Update Date | 2025-03-21 20:58:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00418247 |
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| Frequency | 4.3 |
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| Structure | |
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| Chemical Formula | C4H7NO2S |
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| Molecular Mass | 133.0197 |
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| SMILES | OCC(O)CN=C=S |
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| InChI Key | QEQBDBDNJYKNRA-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 | isothiocyanates |
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| Subclass | isothiocyanates |
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| Direct Parent | isothiocyanates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound1,2-diol |
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