input word = C00063174

Metabolite InformationStructural formula
Name Sapinmusaponin C
Formula C42H72O14
Mw 800.49220701
CAS RN 857859-21-3
C_ID C00063174
InChIKey GOJQRQRGOPNVNG-WHRMDDACSA-N
InChICode InChI=1S/C42H72O14/c1-20-29(46)31(48)33(50)35(53-20)56-34-32(49)30(47)23(19-43)54-36(34)55-28-14-16-39(6)24-11-10-21-22(42(9,52)26(44)13-15-37(2,3)51)12-17-40(21,7)41(24,8)27(45)18-25(39)38(28,4)5/h13,15,20-36,43-52H,10-12,14,16-19H2,1-9H3/b15-13+/t20-,21+,22-,23+,24+,25-,26?,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,39+,40+,41-,42-/m0/s1
SMILES CC1OC(OC2C(OC3CCC4(C)C(CC(O)C5(C)C4CCC4C(C(C)(O)C(O)C=CC(C)(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
zoom in