| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:57 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2S |
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| Molecular Mass | 154.0565 |
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| SMILES | NCCSc1cccnc1 |
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| InChI Key | MYTYKHZDSVYAFE-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 | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativessulfenyl compounds |
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| Substituents | sulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkylarylthioetheraryl thioetherpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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