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CHEBI:136551 - linalool 3,7-oxide β-primeveroside

ChEBI IDCHEBI:136551
ChEBI Namelinalool 3,7-oxide β-primeveroside
Stars
ASCII Namelinalool 3,7-oxide beta-primeveroside
Definition6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside derived from linalool 3,7-oxide.
Last Modified15 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC21H36O11
Net Charge0
Average Mass464.508
Monoisotopic Mass464.22576
SMILESC=CC1(C)CCC(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O1
InChIInChI=1S/C21H36O11/c1-5-21(4)7-6-12(20(2,3)32-21)31-19-17(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
InChIKeyUXVKRHYINVOVAM-BVPSFVBUSA-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 3,7-oxide β-primeveroside (CHEBI:136551) has role Camellia sinensis metabolite (CHEBI:140160)
linalool 3,7-oxide β-primeveroside (CHEBI:136551) is a 6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside (CHEBI:2220)
IUPAC Names 
6-ethenyl-2,2,6-trimethyloxan-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
6-ethenyl-2,2,6-trimethyloxan-3-yl β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside
Synonym  Source
Linalool 3,7-oxide beta-primeverosideHMDB
Manual XrefsDatabases
HMDB0036571HMDB