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Substance Name: 5-(Methylthio)pentyl glucosinolate
RN: 29611-01-6
InChIKey: MEFPHTVXBPLRLX-KHXSHCKASA-N

Molecular Formula

  • C13-H25-N-O9-S3

Molecular Weight

  • 435.5365
 
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Names and Synonyms

Results Name

  • 5-(Methylthio)pentyl glucosinolate

Synonym

  • Glucoberteroin

Systematic Name

  • Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-

Registry Numbers

CAS Registry Number

  • 29611-01-6

Other Registry Numbers

  • 536-07-2
  • 78993-11-0

System Generated Number

  • 0029611016

Structure Descriptors

InChI

1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+/t8-,10-,11+,12-,13+/m1/s1

InChIKey

MEFPHTVXBPLRLX-KHXSHCKASA-N

Smiles

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