input word = C00057020

Metabolite InformationStructural formula
Name Olitoriside
Formula C35H52O14
Mw 696.33570637
CAS RN 13289-20-8
C_ID C00057020
InChIKey KQBVSIZPUWODNU-ZJJDAITPSA-N
InChICode InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35+/m1/s1
SMILES O[C@H]1[C@H](O[C@H]2[C@@H](C)O[C@@H](O[C@@H]3C[C@](CC[C@]4([H])[C@]5([H])CC[C@@]6(C)[C@]4(O)CC[C@]6([H])C7=CC(OC7)=O)(O)[C@]5(C=O)CC3)C[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCorchorus olitorius Ref.
zoom in