input word = C00044805

Metabolite InformationStructural formula
Name Hippuristerone G
(+)-Hippuristerone G
Formula C35H54O9
Mw 618.37678332
CAS RN 549528-40-7
C_ID C00044805 ,
InChIKey XOJRUWKKDXDTAW-XSTGPNNENA-N
InChICode InChI=1S/C35H54O9/c1-19(20(2)31(6,7)43-23(5)38)30(42-22(4)37)33(9)35(44-33)29(40)17-28-26-11-10-24-16-25(39)12-14-32(24,8)27(26)13-15-34(28,35)18-41-21(3)36/h19-20,24,26-30,40H,10-18H2,1-9H3/t19-,20-,24-,26+,27-,28-,29-,30+,32-,33-,34+,35+/m0/s1
SMILES CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@]21O[C@@]1(C)[C@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
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