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CHEBI:177749 - Octyl 6-O-[(4xi)-D-xylo-hexofuranosyl]-alpha-D-glucopyranoside

ChEBI IDCHEBI:177749
ChEBI NameOctyl 6-O-[(4xi)-D-xylo-hexofuranosyl]-alpha-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38O11
Net Charge0
Average Mass454.513
Monoisotopic Mass454.24141
SMILESCCCCCCCCO[C@H]1O[C@H](COC2OC([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H38O11/c1-2-3-4-5-6-7-8-28-19-16(26)14(24)13(23)12(30-19)10-29-20-17(27)15(25)18(31-20)11(22)9-21/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18?,19+,20?/m1/s1
InChIKeyLLLQOXKKJGDQQF-HEJUSVBUSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Octyl 6-O-[(4xi)-D-xylo-hexofuranosyl]-alpha-D-glucopyranoside (CHEBI:177749) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-[[(3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
Manual XrefsDatabases
58837339ChemSpider