| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O3S |
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| Molecular Mass | 210.0351 |
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| SMILES | CSc1ccccc1C(=O)CC(=O)O |
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| InChI Key | PHURCZIQLBSVQL-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 | alkylarylthioethersaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanoic acidssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherbeta-keto acidorganic oxidethiophenolthiophenol ethervinylogous thioestersulfenyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthioetherketo acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
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