| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:43 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054373 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C15H14O9S2 |
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| Molecular Mass | 402.0079 |
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| SMILES | O=S(O)c1cc(O)cc2c1CC(O)C(c1ccc(OS(=O)(=O)O)cc1)O2 |
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| InChI Key | BTMRZYMXMXMERN-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 benzenoids7-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 alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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