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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoanion > glycosinolate > glucosinolate > alkenylglucosinolate > sinigrin(1-)

Preferred term

sinigrin(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C10H16NO9S2

inchi

  • InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1

inchikey

  • PHZOWSSBXJXFOR-GLVDENFASA-M

is_conjugate_base_of

mass

  • 358.368

monoisotopicmass

  • 358.02720

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose

synonym RELATED

  • 1-S-[N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
  • allylglucosinolate
  • sinigrin
  • Sinigrin
  • sinigrin anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9162

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