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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfone > glucoerysolin

Preferred term

glucoerysolin  

Type

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

Broader concept

charge

  • -1

formula

  • C12H22NO11S3

has_functional_parent

inchi

  • InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/p-1/t7-,9-,10+,11-,12+/m1/s1

inchikey

  • WJMGSLJQEIYHOF-URYVQPGZSA-M

mass

  • 452.50122

monoisotopicmass

  • 452.03605

smiles

  • CS(=O)(=O)CCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 1-S-[5-(methylsulfonyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
  • Glucoerysolin

synonym RELATED

  • 4-Methylsulfonylbutyl glucosinolate
  • 4-methylsulfonylbutylglucosinolate
  • Glucopyranose, 1-thio-, 1-(5-(methylsulfonyl)valerohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D-

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:5405

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