| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:14 UTC |
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| Update Date | 2025-03-25 01:00:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NS |
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| Molecular Mass | 233.1238 |
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| SMILES | CCCCCCCc1ccc(N=C=S)cc1 |
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| InChI Key | PUKCSGWEJSEIKM-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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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 | aromatic homomonocyclic compoundisothiocyanatemonocyclic benzene moietyorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic 1,3-dipolar compoundorganic nitrogen compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compound |
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