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Substance Name: 4'-Methyl-epigallocatechin-3'-sulfate
RN: 1038922-76-7
UNII: YS81ADX3F1
InChIKey: MXQPVXBIHUDTSP-IUODEOHRSA-N

Molecular Formula

  • C16-H16-O10-S

Molecular Weight

  • 400.3584
 
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Names and Synonyms

Name of Substance

  • 4'-Methyl-epigallocatechin-3'-sulfate

Synonyms

  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3-hydroxy-4-methoxy-5-(sulfooxy)phenyl)-, (2R,3R)-
  • 3-Hydroxy-2-methoxy-5-((2R,3R)-3,5,7-trihydroxychroman-2-yl)phenyl hydrogen sulfate
  • 4'-Methyl-epigallocatechin-3'-sulfate
  • UNII-YS81ADX3F1

Registry Numbers

CAS Registry Number

  • 1038922-76-7

FDA UNII

  • YS81ADX3F1

System Generated Number

  • 1038922767

Structure Descriptors

InChI

1S/C16H16O10S/c1-24-16-11(19)2-7(3-14(16)26-27(21,22)23)15-12(20)6-9-10(18)4-8(17)5-13(9)25-15/h2-5,12,15,17-20H,6H2,1H3,(H,21,22,23)/t12-,15-/m1/s1

InChIKey

MXQPVXBIHUDTSP-IUODEOHRSA-N

Smiles

COc1c(cc(cc1OS(=O)(=O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O