input word = C00063176

Metabolite InformationStructural formula
Name Sapinmusaponin E
Formula C43H74O13
Mw 798.51294245
CAS RN 857859-23-5
C_ID C00063176
InChIKey AAVHZKFQSMDUHO-KNWJZPRFSA-N
InChICode InChI=1S/C43H74O13/c1-22-30(46)32(48)34(50)36(53-22)56-35-33(49)31(47)25(21-44)54-37(35)55-29-15-18-40(6)26-13-12-23-24(42(8,51)17-11-16-38(2,3)52-10)14-19-41(23,7)43(26,9)28(45)20-27(40)39(29,4)5/h11,16,22-37,44-51H,12-15,17-21H2,1-10H3/b16-11+/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,40+,41+,42+,43-/m0/s1
SMILES COC(C)(C)C=CCC(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.
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