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CHEBI:136548 - benzyl β-primeveroside

ChEBI IDCHEBI:136548
ChEBI Namebenzyl β-primeveroside
Stars
ASCII Namebenzyl beta-primeveroside
DefinitionA 6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside in which the anomeric substituent is specified as benzyl.
Last Modified15 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC18H26O10
Net Charge0
Average Mass402.396
Monoisotopic Mass402.15260
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
InChIKeyWOGBNISMMIOPAZ-NWQIESHVSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - MetaboLights (MTBLS403)
Camellia sinensis var. sinensis (ncbitaxon:542762) leaf (BTO:0000713) PubMed (7522061)
Jasminum sambac (ncbitaxon:660624) flower (BTO:0000469) PubMed (7539643)
Alangium platanifolium (ncbitaxon:60116) - PubMed (1370042)
Roles Classification
Biological Role:
Camellia sinensis metabolite  Any plant metabolite that is produced by Camellia sinensis.
ChEBI Ontology
Outgoing Relation(s)
benzyl β-primeveroside (CHEBI:136548) has functional parent benzyl alcohol (CHEBI:17987)
benzyl β-primeveroside (CHEBI:136548) has role Camellia sinensis metabolite (CHEBI:140160)
benzyl β-primeveroside (CHEBI:136548) is a 6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside (CHEBI:2220)
IUPAC Names 
benzyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
benzyl β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside
Synonyms  Source
Benzyl 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosideHMDB
BaxgpHMDB
Benzyl alcohol beta-D-xylopyranosyl (1-6)-beta-D-glucopyranosideHMDB
benzyl beta-primeverosideChEBI
Benzyl alcohol xylopyranosyl-(1-6)-glucopyranosideHMDB
β-D-Xyl-(1→6)-β-D-Glc-OBnChEBI
Manual XrefsDatabases
HMDB0041190HMDB
116025ChemSpider
CPD-14734MetaCyc
Registry NumbersSources
Reaxys:4275067Reaxys
CAS:130622-31-0ChemIDplus
Citations