| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:54 UTC |
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| Update Date | 2025-03-21 18:06:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062007 |
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| Frequency | 50.1 |
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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(OS(=O)(=O)O)c(O)c1)O2 |
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| InChI Key | YRYIVDZLZCZAOX-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 benzenoids3'-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 derivatives1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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