input word = C00055424

Metabolite InformationStructural formula
Name Chikusetsusaponin Ia
Formula C41H70O12
Mw 754.4867277
CAS RN 59252-86-7
C_ID C00055424
InChIKey DGSOBIYFLJXVQZ-UHFFFAOYSA-N
InChICode InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3
SMILES OC(CC/C=C(C)/C)(C)C1CCC2(C)C3(C)CCC4C(C)(C)C(OC5C(O)C(O)C(O)C(COC6OCC(O)C(O)C6O)O5)CCC4(C)C3CC(O)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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OrganismPanax japonicus
ReferenceUvarova, N.I. et al., Chem. Nat. Compd. (Engl. Transl.), 1965, 1, 63-66 (Panaxosides)