| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:18:04 UTC |
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| Update Date | 2025-03-21 20:52:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00385540 |
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| Frequency | 4.8 |
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| Structure | |
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| Chemical Formula | C6H11NOS |
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| Molecular Mass | 145.0561 |
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| SMILES | CCCC(O)CN=C=S |
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| InChI Key | FSPUACSDDVBYTF-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 derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundisothiocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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