| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O6S |
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| Molecular Mass | 258.0198 |
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| SMILES | O=C(CC(C(=O)O)S(=O)(=O)O)c1ccccc1 |
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| InChI Key | OAOAPTMONVYFGU-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 | aryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssulfonylsthia fatty acids |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic sulfonic acid or derivativesketo acidhydrocarbon derivativebenzenoidalkyl-phenylketone |
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