| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:32 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H30O21S |
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| Molecular Mass | 722.1 |
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| SMILES | O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(c2)OC(c2ccc(O)c(OS(=O)(=O)O)c2)C(O)C3)C(O)C(O)C1O |
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| InChI Key | PSFAXPMOYRGQIT-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 | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid-7-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoidsacetalsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscatechinsdicarboxylic acids and derivativesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylsulfatespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidephenylsulfatebeta-hydroxy acidsaccharideacetalcatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyrandicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundsulfuric acid monoestercarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanearylsulfateflavonoid-7-o-glycosidepyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidsulfate-esterbenzenoidsulfuric acid esterorganooxygen compound |
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