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CHEBI:133834 - lyciumoside II

ChEBI IDCHEBI:133834
ChEBI Namelyciumoside II
Stars
DefinitionA diterpene glycoside that is 20-hydroxygeranyllinalool substituted carrying β-D-glucosyl and β-D-glucosyl-(1→2)-β-D-glucosyl residues at position O-3 and O-20 respectively.
Last Modified22 November 2019
SubmitterKeeva
DownloadsMolfile
FormulaC38H64O17
Net Charge0
Average Mass792.913
Monoisotopic Mass792.41435
SMILESC=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C38H64O17/c1-6-38(5,55-36-33(49)30(46)27(43)24(17-40)52-36)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)19-50-37-34(31(47)28(44)25(18-41)53-37)54-35-32(48)29(45)26(42)23(16-39)51-35/h6,10,13-14,23-37,39-49H,1,7-9,11-12,15-19H2,2-5H3/b20-10+,21-14+,22-13-/t23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37-,38-/m1/s1
InChIKeyQAUYGCMOBFCRSP-ZEBUDOFZSA-N
Species of MetaboliteComponentSourceComments
Nicotiana attenuata (ncbitaxon:49451) - MetaboLights (MTBLS335)
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)
lyciumoside II (CHEBI:133834) has functional parent geranyllinalool (CHEBI:74299)
lyciumoside II (CHEBI:133834) has role plant metabolite (CHEBI:76924)
lyciumoside II (CHEBI:133834) is a diterpene glycoside (CHEBI:71939)
lyciumoside II (CHEBI:133834) is a sophoroside (CHEBI:145470)
lyciumoside II (CHEBI:133834) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3S,6E,10E,14Z)-16-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl β-D-glucopyranoside
Synonym  Source
3-O-β-D-glucopyranosyl-20-hydroxygeranyllinalool-20-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosideChEBI
Manual XrefsDatabases
HMDB0039576HMDB
Registry NumbersSources
Reaxys:6363317Reaxys
CAS:150396-01-3HMDB