input word = C00030382

Metabolite InformationStructural formula
Name Giganteoside D
(+)-Giganteoside D
Formula C41H66O11
Mw 734.46051295
CAS RN 75026-25-4
C_ID C00030382 ,
InChIKey IBAJNOZMACNWJD-AJYKJXFUNA-N
InChICode InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33?,34-,38-,39+,40+,41-/m0/s1
SMILES [C@@H]12[C@](CC[C@@]3(C1=CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)C)C)(C(=O)O)CCC(C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceaeCephalaria gigantea Ref.
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