Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:37:03 UTC |
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Update Date | 2025-03-21 17:57:33 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00008564 |
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Frequency | 571.3 |
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Structure | |
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Chemical Formula | C15H14O10S |
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Molecular Mass | 386.0308 |
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SMILES | O=S(=O)(O)OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1 |
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InChI Key | YSYDBCYSRCEUIU-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-sulfated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalkyl sulfatesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundspyrogallols and derivativessulfuric acid monoesters |
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Substituents | monocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativespyrogallol derivativebenzenetriol3-sulfated flavonoid5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterepigallocatechinorganooxygen compound |
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