| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:50 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H3NOS |
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| Molecular Mass | 112.9935 |
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| SMILES | O=C=CCN=C=S |
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| InChI Key | YATONZPTMZMYOX-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 | hydrocarbon derivativesketenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsynolates |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundketeneorganooxygen compound |
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