| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:33:46 UTC |
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| Update Date | 2025-03-24 14:28:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00852038 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C6H12N2S+ |
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| Molecular Mass | 144.0716 |
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| SMILES | C[N+](C)CCCN=C=S |
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| InChI Key | RSCGIIJXJKGVSH-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 derivativesorganic cationsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cation |
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