| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:37 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056495 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C15H11O8S+ |
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| Molecular Mass | 351.0169 |
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| SMILES | O=S(=O)(O)Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1 |
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| InChI Key | GAYNMGACYFLCLZ-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 | hydroxyflavonoids |
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| Direct Parent | 3-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsanthocyanidinsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | 3-hydroxyflavonoidmonocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidearomatic heteropolycyclic compoundanthocyanidinarylsulfateorganic cationorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound7-hydroxyflavonoidsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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