| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155749 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O3S |
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| Molecular Mass | 234.0351 |
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| SMILES | CSc1cc(=O)cc(-c2ccc(O)cc2)o1 |
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| InChI Key | ZAHGQYVQRKLSNM-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 | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfenyl compoundsvinylogous thioesters |
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| Substituents | vinylogous thioestermonocyclic benzene moietysulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketonealkylarylthioetheraryl thioetheroxacycleorganic oxideorganic oxygen compoundpyranpyranonephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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