| 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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