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Substance Name: 4-Methoxy-3-indolylmethyl glucosinolate
RN: 83327-21-3
InChIKey: IIAGSABLXRZUSE-KYKLFQSUSA-N

Note

  • From cabbage, cauliflower & brussels sprouts.

Molecular Formula

  • C17-H22-N2-O10-S2

Molecular Weight

  • 478.497
 
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Names and Synonyms

Name of Substance

  • 4-Methoxy-3-indolylmethyl glucosinolate

Synonyms

  • 4-Hydroxy-3-indolylmethyl glucosinolate
  • 4-Moimg

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate)

Registry Numbers

CAS Registry Number

  • 83327-21-3

System Generated Number

  • 0083327213

Structure Descriptors

InChI

1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1

InChIKey

IIAGSABLXRZUSE-KYKLFQSUSA-N

Smiles

c1cc2[nH]cc(c2c(c1)OC)C\C(=N\OS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O