| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:19 UTC |
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| Update Date | 2025-03-21 18:04:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048881 |
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| Frequency | 75.3 |
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| Structure | |
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| Chemical Formula | C10H13NS |
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| Molecular Mass | 179.0769 |
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| SMILES | CCCN=C(S)c1ccccc1 |
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| InChI Key | ULZQMOTWAKBBPV-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 | alkylthiolshydrocarbon derivativesimidothioic acids and derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidothioic acid or derivativesalkylthiol |
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