input word = C00022758

Metabolite InformationStructural formula
Name 7,13E-Labdadien-15-ol acetate
Formula C22H36O2
Mw 332.27153039
CAS RN 120786-69-8
C_ID C00022758 ,
InChIKey DEKPALIRJFSIQW-FHUITNOCNA-N
InChICode InChI=1S/C22H36O2/c1-16(12-15-24-18(3)23)8-10-19-17(2)9-11-20-21(4,5)13-7-14-22(19,20)6/h9,12,19-20H,7-8,10-11,13-15H2,1-6H3/b16-12+/t19-,20-,22+/m0/s1
SMILES CC(=O)OC/C=C(C)CC[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus incanus Ref.
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