Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:42 UTC |
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Update Date | 2025-03-21 18:02:46 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040177 |
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Frequency | 86.1 |
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Structure | |
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Chemical Formula | C15H14O9S |
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Molecular Mass | 370.0359 |
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SMILES | O=S(=O)(O)OC1Cc2cc(O)cc(O)c2OC1c1ccc(O)cc1O |
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InChI Key | VYTYUXYXMFVEGN-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 | sulfated flavonoids |
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Direct Parent | 3-sulfated flavonoids |
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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'-hydroxyflavonoids6-hydroxyflavonoids8-hydroxyflavonoidsalkyl aryl ethersalkyl sulfatesbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesorganic oxidesoxacyclic compoundsresorcinolssulfuric acid monoesters |
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Substituents | 8-hydroxyflavonoidmonocyclic benzene moietysulfuric acid monoesterether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherresorcinolorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromaneflavan-3-olorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoid6-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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