input word = C00052787

Metabolite InformationStructural formula
Name 9,12-Octadecadienoic acid, methyl ester
Formula C19H34O2
Mw 294.25588033
CAS RN 2462-85-3
C_ID C00052787
InChIKey WTTJVINHCBCLGX-ZDVGBALWSA-N
InChICode InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
SMILES CCCCC/C=C/C/C=C/CCCCCCCC(OC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChamaemelum nobile Ref.
PlantaeAsteraceaeMatricaria chamomilla Ref.
PlantaePinaceaePinus taeda Ref.
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OrganismPinus taeda
ReferenceMorris, C. R. et al., J. Agric. Food Chem., 52, (2004), 1427-1434.