Marvin 06131312502D 24 23 0 0 0 0 999 V2000 12.1160 -21.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1160 -20.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 -21.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 -20.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5452 -20.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4015 -21.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6870 -21.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4015 -20.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6870 -20.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9725 -21.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2579 -21.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9726 -20.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2581 -20.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 -21.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8291 -21.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5437 -20.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -20.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -21.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4004 -21.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 -20.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 -20.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2622 -20.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2622 -19.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9786 -20.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 5 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > CHEBI:28792 > erucic acid > 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. > 3 > CHEBI:4836; CHEBI:23275 > Erucic acid; Erucic acid; Erucasaeure; docos-13c-enoic acid; cis-eruic acid; cis-Delta(13)-docosenoic acid; cis-13-Docosenoic acid; C22:1n-9; 22:1omega9; 13-cis-docosenoic acid; (Z)-docos-13-enoic acid; (Z)-13-docosenoic acid; (13Z)-Docosenoic acid; (13Z)-13-docosenoic acid > (13Z)-docos-13-enoic acid > C22H42O2 > 338.56770 > 338.31848 > 0 > CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O > InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- > DPUOLQHDNGRHBS-KTKRTIGZSA-N > 112-86-7 > 177365 > 1728049 > 112-86-7 > C08316 > C00001217 > LMFA01030089 > CPD-14292 > 112-86-7 > Erucic_acid > 1170010; 7847331 $$$$