input word = C00063172

Metabolite InformationStructural formula
Name Sapinmusaponin A
Formula C42H72O13
Mw 784.49729239
CAS RN 857859-19-9
C_ID C00063172
InChIKey VKPBFUJAJUKRSV-DCECQOSESA-N
InChICode InChI=1S/C42H72O13/c1-20(2)10-13-27(44)42(9,51)23-14-17-40(7)22(23)11-12-25-39(6)16-15-29(38(4,5)26(39)18-28(45)41(25,40)8)54-37-35(33(49)31(47)24(19-43)53-37)55-36-34(50)32(48)30(46)21(3)52-36/h10,21-37,43-51H,11-19H2,1-9H3/t21-,22+,23-,24+,25+,26-,27?,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40+,41-,42-/m0/s1
SMILES CC(C)=CCC(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CC(O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
zoom in