input word = C00050299

Metabolite InformationStructural formula
Name Pterodontoside E
(+)-Pterodontoside E
Formula C21H38O8
Mw 418.25666819
CAS RN 186374-66-3
C_ID C00050299 ,
InChIKey HICPZCMIUKUSGV-YRMVJHISNA-N
InChICode InChI=1S/C21H38O8/c1-19(2,27)11-5-7-20(3)13(9-11)21(4,8-6-14(20)23)29-18-17(26)16(25)15(24)12(10-22)28-18/h11-18,22-27H,5-10H2,1-4H3/t11-,12+,13-,14-,15+,16-,17+,18-,20-,21-/m0/s1
SMILES CC(C)(O)[C@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera pterodonta Ref.
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