input word = C00022039

Metabolite InformationStructural formula
Name Divaricatic acid (Pteronia)
Formula C22H36O5
Mw 380.25627426
CAS RN 129350-24-9
C_ID C00022039 ,
InChIKey AUMDPBYYQXKEIR-BPPQNOMLNA-N
InChICode InChI=1S/C22H36O5/c1-17(2)8-5-12-21(22(25)26)13-7-11-20(16-27-19(4)24)10-6-9-18(3)14-15-23/h8,10,14,21,23H,5-7,9,11-13,15-16H2,1-4H3,(H,25,26)/b18-14+,20-10-/t21-/m1/s1
SMILES CC(=O)OC/C(=CCC/C(C)=C/CO)CCCC(CCC=C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia divaricata Ref.
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