| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:08 UTC |
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| Update Date | 2025-03-21 18:32:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088729 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C9H10OS |
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| Molecular Mass | 166.0452 |
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| SMILES | CSc1ccccc1C(C)=O |
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| InChI Key | BWAPAQBFRRLPCG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesalkylarylthioethersaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | vinylogous thioestermonocyclic benzene moietyaryl alkyl ketonesulfenyl compoundbenzoylalkylarylthioetherorganosulfur compoundaryl thioetheraromatic homomonocyclic compoundorganic oxidethiophenolthioetherthiophenol etheracetophenonehydrocarbon derivativebenzenoidalkyl-phenylketone |
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