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Substance Name: 4-Hydroxy-3-indolylmethylglucosinolate
RN: 83327-20-2
InChIKey: CSMYCLLHRFFFLG-WVGMDVCISA-N

Note

  • From cabbage seed & rape seed.

Molecular Formula

  • C16-H20-N2-O10-S2

Molecular Weight

  • 464.47
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-3-indolylmethylglucosinolate

Synonyms

  • 1-Thio-beta-D-glucopyranose 1-(4-hydroxy-N-(sulfooxy)-1H-indole-3-ethanimidate)
  • 4-Hydroxy-3-indolylmethylglucosinate
  • 4-Methoxy-3-indolylmethyl glucosinolate
  • 4-Ohimg

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83327-20-2

System Generated Number

  • 0083327202

Structure Descriptors

InChI

1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/b18-11-/t10-,13-,14+,15-,16+/m1/s1

InChIKey

CSMYCLLHRFFFLG-WVGMDVCISA-N

Smiles

c1cc(O)c2c(c[nH]c2c1)CC(\S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)=N/OS(O)(=O)=O