input word = C00030509

Metabolite InformationStructural formula
Name Ilexoside XLVIII
Quinoasaponin 9
Formula C42H66O15
Mw 810.44017144
CAS RN 129095-76-7
C_ID C00030509 ,
InChIKey RZQHWSDMLZHIRN-VPXRDHCRNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex rotunda Ref.
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeChenopodiaceaeChenopodium quinoa Wild. Ref.
--Boussingaultia baselloides Ref.
zoom in



OrganismChenopodium quinoa Wild.
ReferenceKuljanabhagavad,Phytochem.,69,(2008),1919