| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:47:52 UTC |
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| Update Date | 2025-03-21 20:03:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00314496 |
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| Frequency | 6.2 |
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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 | C=C(O)CN=C=S |
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| InChI Key | XTUVSYZQHMLVSL-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 | alkanolamineshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine |
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