EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79343 - glucolimnanthin

ChEBI IDCHEBI:79343
ChEBI Nameglucolimnanthin
Stars
DefinitionAn aralkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a (2-(3-methoxyphenyl)-N-(sulfooxy)ethanimidoyl group at the anomeric sulfur.
Last Modified11 March 2016
Submitternamrata
DownloadsMolfile
FormulaC15H21NO10S2
Net Charge0
Average Mass439.464
Monoisotopic Mass439.06069
SMILESCOc1cccc(C/C(=N/OS(=O)(=O)O)S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/b16-11-/t10-,12-,13+,14-,15+/m1/s1
InChIKeyRYDIUEJGEAUJAI-OOMJLXHVSA-N
Species of MetaboliteComponentSourceComments
Limnanthes alba (ncbitaxon:42439) - PubMed (19170637)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
glucolimnanthin (CHEBI:79343) is a aralkylglucosinolic acid (CHEBI:79342)
glucolimnanthin (CHEBI:79343) is a monomethoxybenzene (CHEBI:25235)
glucolimnanthin (CHEBI:79343) is conjugate acid of glucolimnanthin(1−) (CHEBI:5409)
Incoming Relation(s)
glucolimnanthin(1−) (CHEBI:5409) is conjugate base of glucolimnanthin (CHEBI:79343)
IUPAC Name 
1-S-[2-(3-methoxyphenyl)-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose
Manual XrefsDatabases
C08414KEGG COMPOUND
C00001475KNApSAcK
Registry NumbersSources
Reaxys:9296269Reaxys
CAS:111810-95-8ChemIDplus
Citations