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CHEBI:168135 - 6-O-Oleuropeoylsucrose

ChEBI IDCHEBI:168135
ChEBI Name6-O-Oleuropeoylsucrose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O13
Net Charge0
Average Mass508.517
Monoisotopic Mass508.21559
SMILESCC(C)(O)C1CC=C(C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)CC1
InChIInChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1
InChIKeyNRXDBALRMKOHET-QWENIEMVSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-O-Oleuropeoylsucrose (CHEBI:168135) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
Manual XrefsDatabases
35014511ChemSpider
HMDB0038117HMDB