| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:32 UTC |
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| Update Date | 2025-03-21 18:34:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101850 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C9H10O7S |
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| Molecular Mass | 262.0147 |
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| SMILES | O=C(CC(O)OS(=O)(=O)O)c1cccc(O)c1 |
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| InChI Key | JZUJDQWAEWNNKX-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidealkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esteralkyl-phenylketone |
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