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CHEBI:81188 - Zizybeoside II

ChEBI IDCHEBI:81188
ChEBI NameZizybeoside II
Stars
DownloadsMolfile
FormulaC25H38O16
Net Charge0
Average Mass594.563
Monoisotopic Mass594.21599
SMILESOC[C@@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_1*OC(CCCCCC$4)][a1211h-1a_1-5][a2122h-1b_1-5]/1-2-3/a2-b1_a3-c1
InChIInChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2/t11-,12+,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1
InChIKeyBEDWWZCYHCGAKV-NERULQDISA-N
ChEBI Ontology
Outgoing Relation(s)
Zizybeoside II (CHEBI:81188) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
C17565KEGG COMPOUND