| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:11:18 UTC |
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| Update Date | 2025-03-24 21:04:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01661042 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C3H3NO2S |
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| Molecular Mass | 116.9884 |
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| SMILES | O=C(CO)N=C=S |
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| InChI Key | PXKSJHGPFPJGBS-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 | isothiocyanate acids |
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| Direct Parent | isothiocyanate acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupisothiocyanate acidorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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