EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:132794 - pinen-10-yl vicianoside

ChEBI IDCHEBI:132794
ChEBI Namepinen-10-yl vicianoside
Stars
DefinitionA monoterpene glycoside with formula C21H34O10, originally isolated from the roots of Paeonia lactiflora.
Last Modified19 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC21H34O10
Net Charge0
Average Mass446.493
Monoisotopic Mass446.21520
SMILESCO[C@H]1O[C@@H](/C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C2\CC[C@@H]3C[C@H]2C3(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H34O10/c1-21(2)8-4-5-9(10(21)6-8)17(30-20-15(26)12(23)11(22)7-29-20)18-14(25)13(24)16(27)19(28-3)31-18/h8,10-16,18-20,22-27H,4-7H2,1-3H3/b17-9-/t8-,10-,11+,12+,13+,14+,15-,16-,18-,19+,20+/m1/s1
InChIKeyQIJSFUZTJUWHOM-SILVWKIMSA-N
Species of MetaboliteComponentSourceComments
Paeonia lactiflora (ncbitaxon:35924) root (BTO:0001188) DOI (10.2174/092986712800229032)
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)
pinen-10-yl vicianoside (CHEBI:132794) has functional parent β-pinene (CHEBI:50025)
pinen-10-yl vicianoside (CHEBI:132794) has role plant metabolite (CHEBI:76924)
pinen-10-yl vicianoside (CHEBI:132794) is a disaccharide derivative (CHEBI:63353)
pinen-10-yl vicianoside (CHEBI:132794) is a monoterpene glycoside (CHEBI:72293)
IUPAC Name 
methyl 6-O-α-L-arabinopyranosyl-6-C-[(1S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-ylidene]-β-L-idopyranoside
Registry NumbersSources
Reaxys:26177965Reaxys
CAS:88623-94-3ChemIDplus