| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:12:17 UTC |
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| Update Date | 2025-03-24 14:13:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00799555 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C5H5NOS |
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| Molecular Mass | 127.0092 |
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| SMILES | O=C=CCCN=C=S |
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| InChI Key | PWQFSBSGSVVKCM-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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