input word = C00022339

Metabolite InformationStructural formula
Name 8alpha,12R-Epoxy-13E-labdene-15,16-dial
Formula C20H30O3
Mw 318.21949482
CAS RN 74559-92-5
C_ID C00022339 ,
InChIKey OTJAPDNIHUPULR-WIJIVEHYNA-N
InChICode InChI=1S/C20H30O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4)17(19)12-15(23-20)14(13-22)7-11-21/h11,13,16-17H,5-10,12H2,1-4H3/b15-14-/t16-,17+,19-,20+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]1[C@](CC2)(O/C(=C(\C=O)/CC=O)/C1)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
zoom in



OrganismSilphium perfoliatum
ReferenceBohlmann,Phytochem.,18,(1979),1987