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Substance Name: 2-Hydroxybut-3-enylglucosinolate
RN: 31362-92-2
InChIKey: MYHSVHWQEVDFQT-JOOHCUNXSA-N

Note

  • Isolated from Moricandia arvensis (Cruciferae).

Molecular Formula

  • C11-H19-N-O10-S2

Molecular Weight

  • 389.4001
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxybut-3-enylglucosinolate

Synonyms

  • 1-Thio-beta-D-glucopyranose 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate)
  • 4-Pentenohydroximate NO-(hydrogen sulfate)
  • HBEG

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate)

Registry Numbers

CAS Registry Number

  • 31362-92-2

System Generated Number

  • 0031362922

Structure Descriptors

InChI

1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+/t5?,6-,8-,9+,10-,11+/m1/s1

InChIKey

MYHSVHWQEVDFQT-JOOHCUNXSA-N

Smiles

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