| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:20:58 UTC |
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| Update Date | 2025-03-21 18:36:50 UTC |
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| HMDB ID | HMDB0127903 |
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| Metabolite Identification |
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| DeepMet ID | DMID00112675 |
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| Name | 4-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)-2-(sulfooxy)benzen-1-olate |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C15H14O10S2 |
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| Molecular Mass | 418.0028 |
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| SMILES | O=S(O)c1cc(O)c2c(c1)OC(c1ccc(O)c(OS(=O)(=O)O)c1)C(O)C2 |
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| InChI Key | GHDRDAIEERIKES-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 | 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 benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfinic acidssulfuric acid monoesters |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromanearylsulfateflavan-3-olorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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