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Substance Name: Glucotropeolin
RN: 499-26-3
InChIKey: QQGLQYQXUKHWPX-LPUQOGTASA-N

Note

  • From Brassica vegetables.

Molecular Formula

  • C14-H19-N-O9-S2

Molecular Weight

  • 409.434
 
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Names and Synonyms

Name of Substance

  • Glucotropeolin

Synonym

  • Glucotropaeolin

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)benzeneethanimidate)

Registry Numbers

CAS Registry Number

  • 499-26-3

System Generated Number

  • 0000499263

Structure Descriptors

InChI

1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1

InChIKey

QQGLQYQXUKHWPX-LPUQOGTASA-N

Smiles

S(O\N=C(/S[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)Cc1ccccc1)(=O)(=O)O