input word = C00056542

Metabolite InformationStructural formula
Name Kakisaponin B
Formula C36H58O10
Mw 650.40299807
CAS RN 1169833-79-7
C_ID C00056542
InChIKey UZTMYBNYYOCNHL-YXVCAQIKSA-N
InChICode InChI=1S/C36H58O10/c1-20(21(2)39)9-14-36(31(44)46-30-29(43)28(42)27(41)23(18-37)45-30)16-15-34(5)22(17-36)7-8-25-32(3)12-11-26(40)33(4,19-38)24(32)10-13-35(25,34)6/h7-8,17,20-21,23-30,37-43H,9-16,18-19H2,1-6H3/t20?,21?,23-,24-,25-,26-,27-,28+,29-,30+,32+,33-,34-,35-,36+/m1/s1
SMILES CC(O)C(C)CC[C@@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C=C[C@@H]3[C@@]4(C)CC[C@@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
zoom in