input word = C00063175

Metabolite InformationStructural formula
Name Sapinmusaponin D
Formula C43H74O14
Mw 814.50785707
CAS RN 857859-22-4
C_ID C00063175
InChIKey AAVHZKFQSMDUHO-IALQZGMCSA-N
InChICode InChI=1S/C43H74O14/c1-21-30(47)32(49)34(51)36(54-21)57-35-33(50)31(48)24(20-44)55-37(35)56-29-15-17-40(6)25-12-11-22-23(43(9,52)27(45)14-16-38(2,3)53-10)13-18-41(22,7)42(25,8)28(46)19-26(40)39(29,4)5/h14,16,21-37,44-52H,11-13,15,17-20H2,1-10H3/b16-14+/t21-,22+,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=CC(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.
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