input word = C00055497

Metabolite InformationStructural formula
Name Chikusetsusaponin L9a
Formula C36H62O10
Mw 654.4342982
CAS RN 65646-23-3
C_ID C00055497
InChIKey KUEHBOGTOMTSHT-TZUSCUCCSA-N
InChICode InChI=1S/C36H62O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)21(45-30-28(42)27(41)26(40)22(18-37)46-30)16-23-33(5)14-11-24(39)32(3,4)29(33)20(38)17-35(23,34)7/h9,12,19-30,37-44H,10-11,13-18H2,1-8H3/b12-9+/t19-,20-,21+,22+,23+,24-,25-,26+,27-,28+,29-,30+,33+,34+,35+,36-/m0/s1
SMILES CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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OrganismPanax japonicus
ReferenceYahara, S. et al., Chem. Pharm. Bull., 1977, 25, 2041-2047 (Chikusetsusaponin L9a)