| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:59 UTC |
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| Update Date | 2025-03-21 18:29:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078964 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C16H16O8S |
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| Molecular Mass | 368.0566 |
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| SMILES | O=C(CCCc1ccc(OS(=O)(=O)O)cc1)c1c(O)cc(O)cc1O |
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| InChI Key | HNRLUPITINTQFP-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 derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphloroglucinol derivativephenylsulfateorganic oxidearylsulfateacylphloroglucinol derivativeorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidbutyrophenonearomatic homomonocyclic compoundvinylogous acidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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