| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:57 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239970 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6O2S |
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| Molecular Mass | 166.0088 |
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| SMILES | O=C1CSc2cccc(O)c21 |
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| InChI Key | FRBKTITZBSKCHC-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesorganoheterocyclic compoundsorganooxygen compoundsvinylogous acidsvinylogous thioesters |
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| Substituents | vinylogous thioesteraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkylarylthioetheraryl thioetherketonevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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