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Concept information

Preferred term

4-(methylthio)butyldesulfoglucosinolate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H23NO6S2

inchi

  • InChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+/t7-,9-,10+,11-,12+/m1/s1

inchikey

  • WILLOUKDISBKTQ-KALKGZTMSA-N

mass

  • 341.447

monoisotopicmass

  • 341.09668

smiles

  • S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)/C(=N/O)/CCCCSC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80986

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