| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:03:52 UTC |
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| Update Date | 2025-03-21 18:28:22 UTC |
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| HMDB ID | HMDB0127807 |
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| Metabolite Identification |
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| DeepMet ID | DMID00071408 |
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| Name | 3-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate |
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| Frequency | 42.0 |
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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)cc2c1CC(O)C(c1ccc(O)c(OS(=O)(=O)O)c1)O2 |
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| InChI Key | VCHUMTGIXYYBGX-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 benzenoids4'-hydroxyflavonoids7-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 derivativesoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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