input word = C00056461

Metabolite InformationStructural formula
Name Lupeoside
Formula C41H68O10
Mw 720.48124839
CAS RN 111216-33-2
C_ID C00056461
InChIKey VTDZILAWJJXPEL-JNQYDNOSSA-N
InChICode InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3/t22-,23+,24+,25+,26-,27+,28-,29+,30-,31+,32+,33+,34+,35-,36-,38+,39-,40+,41+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCanavalia ensiformis Ref.
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