| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:13 UTC |
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| Update Date | 2025-03-21 17:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020241 |
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| Frequency | 200.5 |
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| Structure | |
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| Chemical Formula | C3H5NOS |
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| Molecular Mass | 103.0092 |
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| SMILES | OCCN=C=S |
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| InChI Key | WTHLISBAOFHRDW-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 | alcohols and polyolsalkanolamineshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine |
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