input word = C00012430

Metabolite InformationStructural formula
Name [1R-[1R*,2E,4S*(Z),6E,10S*]]-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-yl ester 2-methyl-2-butenoic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 54878-84-1
C_ID C00012430 ,
InChIKey ZSPXEMQYKDXZCE-SFLRLGIZNA-N
InChICode InChI=1S/C20H30O2/c1-7-14(3)19(21)22-18-11-9-13(2)8-10-16-17(12-15(18)4)20(16,5)6/h7,9,12,16-18H,8,10-11H2,1-6H3/b13-9+,14-7-,15-12+/t16-,17+,18+/m1/s1
SMILES C\1=C(/[C@H](C/C=C(/CC[C@@H]2[C@H]1C2(C)C)\C)OC(=O)/C(=C\C)/C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOthonna spp. Ref.
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