| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:41 UTC |
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| Update Date | 2025-03-25 00:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NOS |
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| Molecular Mass | 143.0405 |
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| SMILES | CC(C)=C(O)CN=C=S |
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| InChI Key | MQTJAEYUWYJRPF-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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