Record Information |
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HMDB Status | predicted |
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Creation Date | 2024-02-21 00:18:03 UTC |
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Update Date | 2025-03-21 18:35:25 UTC |
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HMDB ID | HMDB0130254 |
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Metabolite Identification |
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DeepMet ID | DMID00105565 |
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Name | {4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenyl}oxidanesulfonic acid |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C15H14O9S |
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Molecular Mass | 370.0359 |
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SMILES | O=C(CCc1ccc(OS(=O)(=O)O)cc1)c1c(O)cc(O)c(O)c1O |
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InChI Key | XJCOIUZIOYCNHL-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-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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Substituents | monocyclic benzene moietysulfuric acid monoester2'-hydroxy-dihydrochalconearyl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolketonephloroglucinol derivativephenylsulfateorganic oxidearylsulfateacylphloroglucinol derivativeorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketone |
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