| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:24 UTC |
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| Update Date | 2025-03-21 17:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020692 |
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| Frequency | 195.1 |
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| Structure | |
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| Chemical Formula | C9H8O9S |
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| Molecular Mass | 291.9889 |
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| SMILES | O=C(CC(=O)c1c(O)cc(O)cc1O)OS(=O)(=O)O |
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| InChI Key | FMHAEGFDADPPEH-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 benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidphloroglucinol derivativeorganic oxideacylphloroglucinol derivativeorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidsulfuric acid esteralkyl-phenylketone |
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