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Substance Name: Glucoraphasatin
RN: 28463-23-2
InChIKey: SWJBBJAXMGWLFJ-PMJTYKONSA-N

Note

  • From Raphanus sativus sprouts.

Molecular Formula

  • C12-H21-N-O9-S3

Molecular Weight

  • 435.493
 
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Names and Synonyms

Results Name

  • Glucoraphasatin

Synonyms

  • 4-Methylthio-3-butenyl glucosinolate
  • Glucoraphasatin

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(5-(methylthio)-N-(sulfooxy)-4-pentenimidate)

Registry Numbers

CAS Registry Number

  • 28463-23-2

System Generated Number

  • 0028463232

Structure Descriptors

InChI

1S/C12H21NO10S3/c1-25-4-2-3-6(11(18)13-23-26(19,20)21)12(24)10(17)9(16)8(15)7(5-14)22-12/h2,4,6-10,14-17,24H,3,5H2,1H3,(H,13,18)(H,19,20,21)/b4-2+/t6?,7-,8-,9+,10-,12+/m1/s1

InChIKey

SWJBBJAXMGWLFJ-PMJTYKONSA-N

Smiles

S[C@]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H](\C(O)=N\OS(=O)(=O)O)C\C=C\SC