| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11O9S+ |
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| Molecular Mass | 367.0118 |
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| SMILES | O=S(=O)(O)Oc1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)cc1O |
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| InChI Key | HYERHKGGOLFICJ-UHFFFAOYSA-O |
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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 | sulfated flavonoids |
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| Direct Parent | 3-sulfated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsanthocyanidinsarylsulfatesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidresorcinolorganic oxidearomatic heteropolycyclic compoundanthocyanidinarylsulfateorganic cationorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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