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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoanion > glycosinolate > glucosinolate > indolylmethylglucosinolate > glucobrassicin(1-)

Preferred term

glucobrassicin(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C16H19N2O9S2

inchi

  • InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/t11-,13-,14+,15-,16+/m1/s1

inchikey

  • DNDNWOWHUWNBCK-JZYAIQKZSA-M

is_conjugate_base_of

mass

  • 447.46100

monoisotopicmass

  • 447.05375

smiles

  • OC[C@H]1O[C@@H](SC(Cc2c[nH]c3ccccc23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 1-S-[2-(1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose

synonym RELATED

  • glucobrassicin
  • glucobrassicin anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64962

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