input word = C00022698

Metabolite InformationStructural formula
Name Cycloisobrachycoumarin
Formula C20H24O3
Mw 312.17254463
CAS RN 101622-88-2
C_ID C00022698 ,
InChIKey SAUZGCXLRDODLW-DZLYFNQKNA-N
InChICode InChI=1S/C20H24O3/c1-12(2)8-7-11-20(5)14(4)22-18-16-13(3)9-6-10-15(16)23-19(21)17(18)20/h6,8-10,14H,7,11H2,1-5H3/t14-,20-/m1/s1
SMILES CC(C)=CCC[C@@]1(C)c2c(c3c(C)cccc3oc2=O)O[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachyclados megalanthus Ref.
zoom in