| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:12 UTC |
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| Update Date | 2025-03-21 18:02:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041374 |
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| Frequency | 83.1 |
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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)c(O)c1 |
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| InChI Key | CYJBZSIOHGUUPV-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 benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsanthocyanidinsarylsulfatesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundanthocyanidinarylsulfateorganic cationorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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