SMILES: CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)O
Description: The molecule is a docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers. It is a conjugate acid of an erucate.