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CHEBI:136549 - linalool 3,6-oxide primeveroside

ChEBI IDCHEBI:136549
ChEBI Namelinalool 3,6-oxide primeveroside
Stars
DefinitionA disaccharide derivative obtained by formal condensation of the hydroxy group of linalool 3,6-oxide with the anomeric centre of β-D-xylosyl-(1→6)-β-D-glucose
Last Modified15 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC21H36O11
Net Charge0
Average Mass464.508
Monoisotopic Mass464.22576
SMILESC=CC1(C)CCC(C(C)(C)OC2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C21H36O11/c1-5-21(4)7-6-12(31-21)20(2,3)32-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3/t10-,11-,12?,13+,14-,15+,16-,17-,18+,19?,21?/m1/s1
InChIKeyCXCRZTANOZWBHN-FFHQWLQGSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - MetaboLights (MTBLS403)
Roles Classification
Biological Role:
Camellia sinensis metabolite  Any plant metabolite that is produced by Camellia sinensis.
ChEBI Ontology
Outgoing Relation(s)
linalool 3,6-oxide primeveroside (CHEBI:136549) has role Camellia sinensis metabolite (CHEBI:140160)
linalool 3,6-oxide primeveroside (CHEBI:136549) is a disaccharide derivative (CHEBI:63353)
linalool 3,6-oxide primeveroside (CHEBI:136549) is a glycoside (CHEBI:24400)
linalool 3,6-oxide primeveroside (CHEBI:136549) is a oxolanes (CHEBI:26912)
IUPAC Names 
2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl 6-O-β-D-xylopyranosyl-D-glucopyranoside
2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside
Synonym  Source
linalool 3,6-oxide 6-xylopyranosylglucopyranosideChEBI