| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:15:29 UTC |
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| Update Date | 2025-03-24 21:33:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01814670 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H5NOS |
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| Molecular Mass | 115.0092 |
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| SMILES | CSc1ccno1 |
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| InChI Key | WPYLYDNVVIYCEO-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 derivativesisoxazolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | sulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazolealkylarylthioetheraryl thioetheroxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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