| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:30 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5S |
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| Molecular Mass | 270.0562 |
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| SMILES | O=C(c1ccc(OS(=O)(=O)O)cc1)C1CCCC1 |
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| InChI Key | QLJJSNJUBOWTTP-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 derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzoylaromatic homomonocyclic compoundphenylsulfateorganic oxidesulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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