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 C=C1C(=O)O[C@H](/C=C(C)CO)[C@H]1[C@@H](C/C(C)=C/CO)OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris pycnostachya Ref.
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