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 [H][C@]1([C@](O)(C)C/C=C/C(C)(O)C)CC[C@@]2(C)[C@]3(C)C[C@H](O)[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]21[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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