input word = C00064203

Metabolite InformationStructural formula
Name Saponin 5
Formula C58H96O26
Mw 1208.61898324
CAS RN 2378721-93-6
C_ID C00064203
InChIKey LWWFRGGNJIEVFK-NOPZQOGISA-N
InChICode InChI=1S/C58H96O26/c1-23-34(64)39(69)42(72)48(77-23)82-44-37(67)26(19-60)79-51(46(44)84-47-41(71)35(65)24(61)20-74-47)80-27-21-75-50(45(38(27)68)83-49-43(73)40(70)36(66)25(18-59)78-49)81-33-11-12-54(6)28(53(33,4)5)9-13-55(7)29(54)10-14-58-30-15-52(2,3)16-31(62)57(30,22-76-58)32(63)17-56(55,58)8/h23-51,59-73H,9-22H2,1-8H3/t23-,24+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-,49-,50-,51-,54-,55+,56-,57+,58-/m0/s1
SMILES CC1OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(C(O)CC(C)(C)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum comosum Ref.
zoom in