input word = C00040050

Metabolite InformationStructural formula
Name Populene A
(+)-Populene A
Formula C15H18O3
Mw 246.12559444
CAS RN 1035531-13-5
C_ID C00040050 ,
InChIKey MINGOCHWARMETQ-URXHZYQANA-N
InChICode InChI=1S/C15H18O3/c1-7(2)12-9-4-8(3)5-11-13(9)10(6-18-11)14(16)15(12)17/h4-7,12,14-17H,1-3H3/t12-,14-,15+/m1/s1
SMILES c12c3c(cc(c1)C)occ3[C@H]([C@H]([C@@H]2C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeThespesia populnea L.Soland.Ex Coor Ref.
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