| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:15 UTC |
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| Update Date | 2025-03-21 18:04:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053354 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C16H16O11S |
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| Molecular Mass | 416.0413 |
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| SMILES | O=S(=O)(O)OCOc1cc(C2Oc3cc(O)cc(O)c3CC2O)cc(O)c1O |
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| InChI Key | UEIRMLVAXXGHJA-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 | flavans |
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| Direct Parent | epigallocatechins |
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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'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalkyl sulfateshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterepigallocatechinorganooxygen compound |
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