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Substance Name: 4'-Methylepicatechin-7-sulfate
RN: 1383625-98-6
UNII: K37MX49C8A
InChIKey: NCEYJABYRYYGNC-CZUORRHYSA-N

Molecular Formula

  • C16-H16-O9-S

Molecular Weight

  • 384.3594
 
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Names and Synonyms

Name of Substance

  • 4'-Methylepicatechin-7-sulfate

Synonyms

  • ((2R,3R)-3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl) hydrogen sulfate
  • (2R,3R)-3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-7-yl hydrogen sulfate
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, 7-(hydrogen sulfate), (2R,3R)-
  • 4'-Methylepicatechin-7-sulfate
  • 4'-O-Methyl-(-)-epicatechin 7-sulfate
  • UNII-K37MX49C8A

Registry Numbers

CAS Registry Number

  • 1383625-98-6

FDA UNII

  • K37MX49C8A

System Generated Number

  • 1383625986

Structure Descriptors

InChI

1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1

InChIKey

NCEYJABYRYYGNC-CZUORRHYSA-N

Smiles

COc1ccc(cc1O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)OS(=O)(=O)O)O)O