input word = C00050900

Metabolite InformationStructural formula
Name Isodaucenoic acid
Formula C15H22O2
Mw 234.16197995
CAS RN 138867-39-7
C_ID C00050900
InChIKey ZOELGNVFXIFAJQ-CKNGHHRPNA-N
InChICode InChI=1S/C15H22O2/c1-10(2)12-7-9-15(3)8-6-11(14(16)17)4-5-13(12)15/h6,12-13H,1,4-5,7-9H2,2-3H3,(H,16,17)/t12-,13+,15+/m1/s1
SMILES C=C(C)[C@H]1CC[C@]2(C)CC=C(OC=O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa rugosa Ref.
zoom in