input word = C00053641

Metabolite InformationStructural formula
Name Pekinenal
Formula C20H30O2
Mw 302.2245802
CAS RN 1145910-37-7
C_ID C00053641
InChIKey VPJVJMGXZXEERF-GKUAIFFXSA-N
InChICode InChI=1S/C20H30O2/c1-14-6-5-7-15(2)9-11-19(22)16(13-21)12-18-17(10-8-14)20(18,3)4/h6,9,12-13,17-19,22H,5,7-8,10-11H2,1-4H3/b14-6+,15-9+,16-12-/t17-,18-,19-/m1/s1
SMILES O=C/C1=C/[C@]2([H])[C@@](C2(C)C)([H])CC/C(C)=C/CC/C(C)=C/C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia pekinensis Ref.
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