| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:15 UTC |
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| Update Date | 2025-03-21 18:39:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127636 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C8H7NS |
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| Molecular Mass | 149.0299 |
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| SMILES | Cc1ccccc1N=C=S |
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| InChI Key | JYKYYPPZLPVIBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isothiocyanateorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluene |
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