input word = C00055499

Metabolite InformationStructural formula
Name Chikusetsusaponin LT5
Formula C48H80O18
Mw 944.53446575
CAS RN 69359-07-5
C_ID C00055499
InChIKey IFCSRGQKRAONDN-UHFFFAOYSA-N
InChICode InChI=1S/C48H80O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23,25-43,49-50,52-60H,9,11-21H2,1-8H3
SMILES CC(CC/C=C(C)/C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C3CCC(C43)(C)C5(C)C(C(CCC(OC6C(O)C(O)C(O)C(CO)O6)C7(C)C)(C)C7CC5)CC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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