| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:40:44 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | HMDB0132272 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016977 |
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| Name | [4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 249.9 |
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| Structure | |
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| Chemical Formula | C15H14O8S |
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| Molecular Mass | 354.0409 |
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| SMILES | O=S(=O)(O)Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1 |
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| InChI Key | GMDFXMLCKGSSSL-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 benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersflavan-3-olshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromanearylsulfateflavan-3-olorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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