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Substance Name: 3'-Methylepicatechin-5-sulfate
RN: 1373035-55-2
UNII: TT47B0549Q
InChIKey: ZFUHNDPCTCXKQO-MLGOLLRUSA-N

Molecular Formula

  • C16-H16-O9-S

Molecular Weight

  • 384.3594
 
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Names and Synonyms

Name of Substance

  • 3'-Methylepicatechin-5-sulfate

Synonyms

  • (2R,3R)-3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-5-yl hydrogen sulfate
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, 5-(hydrogen sulfate), (2R,3R)-
  • 3'-Methylepicatechin-5-sulfate
  • 3'-O-Methyl-(-)-epicatechin 5-sulfate
  • UNII-TT47B0549Q

Registry Numbers

CAS Registry Number

  • 1373035-55-2

FDA UNII

  • TT47B0549Q

System Generated Number

  • 1373035552

Structure Descriptors

InChI

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

InChIKey

ZFUHNDPCTCXKQO-MLGOLLRUSA-N

Smiles

COc1cc(ccc1O)[C@@H]2[C@@H](Cc3c(cc(cc3OS(=O)(=O)O)O)O2)O