input word = C00055498

Metabolite InformationStructural formula
Name Chikusetsusaponin LN4
Formula C52H86O21
Mw 1046.56615981
CAS RN 69359-08-6
C_ID C00055498
InChIKey DKVNOGOYEHMAGZ-UHFFFAOYSA-N
InChICode InChI=1S/C52H86O21/c1-23(2)10-9-14-52(8,73-47-43(65)39(61)37(59)29(71-47)22-69-45-41(63)35(57)27(55)20-67-45)24-11-16-51(7)33(24)25(53)18-31-49(5)15-13-32(48(3,4)30(49)12-17-50(31,51)6)72-46-42(64)38(60)36(58)28(70-46)21-68-44-40(62)34(56)26(54)19-66-44/h10,24,26-47,54-65H,9,11-22H2,1-8H3
SMILES CC(CC/C=C(C)/C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C3CCC(C43)(C)C5(C)C(C(CCC(OC6C(O)C(O)C(O)C(COC7OCC(O)C(O)C7O)O6)C8(C)C)(C)C8CC5)CC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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