input word = C00012419

Metabolite InformationStructural formula
Name Pycnolide
Formula C20H28O6
Mw 364.18858863
CAS RN 55306-05-3
C_ID C00012419 ,
InChIKey GHEIESSKOYFMTB-CPKJPXNUNA-N
InChICode InChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17+,18-/m1/s1
SMILES C1(=C)[C@@H]([C@@H](OC1=O)/C=C(\C)/CO)[C@@H](C/C(=C/CO)/C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris pycnostachya Ref.
zoom in