input word = C00055845

Metabolite InformationStructural formula
Name Ethyl 9,12-octadecadienoate
Ethyl octadeca-9,12-dienoate
Formula C20H36O2
Mw 308.27153039
CAS RN 7619-08-1
C_ID C00055845
InChIKey FMMOOAYVCKXGMF-MVKOLZDDSA-N
InChICode InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8+,12-11+
SMILES CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea atropurpurea Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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OrganismCentaurea atropurpurea
ReferenceNovakovic, J. et al., Chem. Biodiv., 13, (2016), 1221-1229.