| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:54 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028773 |
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| Frequency | 130.6 |
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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 | COS(=O)(=O)Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
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| InChI Key | JSRRZOYSAUBLOB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | 2'-hydroxy-dihydrochalcones |
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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 derivativesalkyl sulfatesalkyl-phenylketonesaryl alkyl ketonesarylsulfatesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid diestersvinylogous acids |
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| Substituents | monocyclic benzene moiety2'-hydroxy-dihydrochalconearyl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolketonephloroglucinol derivativeorganic oxidesulfuric acid diesteralkyl sulfatearylsulfateacylphloroglucinol derivativeorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketone |
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