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Substance Name: 3'-Methylepicatechin-4'-sulfate
RN: 1390702-41-6
UNII: A77AGF90HJ
InChIKey: QGMVQGQNIUVPMC-MLGOLLRUSA-N

Molecular Formula

  • C16-H16-O9-S

Molecular Weight

  • 384.3594
 
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Names and Synonyms

Name of Substance

  • 3'-Methylepicatechin-4'-sulfate

Synonyms

  • (2-Methoxy-4-((2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl) hydrogen sulfate
  • 2-Methoxy-4-((2R,3R)-3,5,7-trihydroxychroman-2-yl)phenyl hydrogen sulfate
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3-methoxy-4-(sulfooxy)phenyl)-, (2R,3R)-
  • 3'-Methylepicatechin-4'-sulfate
  • 3'-O-Methyl-(-)-epicatechin 4'-sulfate
  • UNII-A77AGF90HJ

Registry Numbers

CAS Registry Number

  • 1390702-41-6

FDA UNII

  • A77AGF90HJ

System Generated Number

  • 1390702416

Structure Descriptors

InChI

InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1

InChIKey

QGMVQGQNIUVPMC-MLGOLLRUSA-N

Smiles

COc1cc(ccc1OS(=O)(=O)O)[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O