skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > glycosinolic acid > glucosinolic acid > glucobarbarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > glycosinolic acid > glucosinolic acid > glucobarbarin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > glycosinolic acid > glucosinolic acid > glucobarbarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > glycosinolic acid > glucosinolic acid > glucobarbarin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > glycosinolic acid > glucosinolic acid > glucobarbarin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > s-glycosyl compound > glycosinolic acid > glucosinolic acid > glucobarbarin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > s-glycosyl compound > glycosinolic acid > glucosinolic acid > glucobarbarin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > s-glycosyl compound > thioglucoside > d-thioglucoside > beta-d-thioglucoside > glucosinolic acid > glucobarbarin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > s-glycosyl compound > thioglucoside > d-thioglucoside > beta-d-thioglucoside > glucosinolic acid > glucobarbarin

Preferred term

glucobarbarin  

Type

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

Broader concept

charge

  • 0

formula

  • C15H21NO10S2

inchi

  • InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/t9?,10-,12-,13+,14-,15+/m1/s1

inchikey

  • GAPDDBFHNYHZIS-LNUNAXHXSA-N

mass

  • 439.45800

monoisotopicmass

  • 439.06069

smiles

  • OC[C@H]1O[C@@H](SC(CC(O)c2ccccc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

synonym RELATED

  • 2(R)-Hydroxy-2-phenylethyl glucosinolate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81001

Download this concept:

RDF/XML TURTLE JSON-LD