| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:15 UTC |
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| Update Date | 2025-03-21 18:04:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048718 |
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| Frequency | 67.9 |
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| Structure | |
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| Chemical Formula | C6H9NS2 |
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| Molecular Mass | 159.0176 |
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| SMILES | C=CCSCCN=C=S |
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| InChI Key | IJWBJCHGILLFOT-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 | allyl sulfur compoundsdialkylthioethershydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanatesulfenyl compounddialkylthioetherallyl sulfur compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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