| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:49 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O3S |
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| Molecular Mass | 212.0507 |
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| SMILES | CCS(=O)(=O)c1ccc(C(C)=O)cc1 |
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| InChI Key | KICSQJXULGTAGC-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 | acetophenonesaryl alkyl ketonesbenzenesulfonyl compoundsbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylacetophenonehydrocarbon derivativebenzenoidalkyl-phenylketonesulfonebenzenesulfonyl group |
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