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Substance Name: Epicatechin-3'-sulfate
RN: 1038922-77-8
UNII: 074D703K9R
InChIKey: VBSMBNMUYITMLB-IUODEOHRSA-N

Molecular Formula

  • C15-H14-O9-S

Molecular Weight

  • 370.3326
 
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Names and Synonyms

Name of Substance

  • Epicatechin-3'-sulfate

Synonyms

  • (-)-Epicatechin 3'-sulfate
  • (2-Hydroxy-5-((2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl) hydrogen sulfate
  • 2-Hydroxy-5-((2R,3R)-3,5,7-trihydroxychroman-2-yl)phenyl hydrogen sulfate
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-(sulfooxy)phenyl)-, (2R,3R)-
  • Epicatechin-3'-sulfate
  • UNII-074D703K9R

Registry Numbers

CAS Registry Number

  • 1038922-77-8

FDA UNII

  • 074D703K9R

System Generated Number

  • 1038922778

Structure Descriptors

InChI

1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1

InChIKey

VBSMBNMUYITMLB-IUODEOHRSA-N

Smiles

c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)OS(=O)(=O)O)O