5282817 -OEChem-03282407572D 50 49 0 0 0 0 0 0 0999 V2000 2.5369 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7033 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0833 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 50 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 2 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 16 18 2 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 M END > 5282817 > 1 > 301 > 2 > 1 > 13 > AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgIABIAAQAAQAAEgAAIgAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > (8Z,10E,12Z)-octadeca-8,10,12-trienoic acid > InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10- > DQGMPXYVZZCNDQ-KDQYYBQISA-N > 6.7 > 278.224580195 > C18H30O2 > 278.4 > CCCCCC=CC=CC=CCCCCCCC(=O)O > CCCCC/C=C\C=C\C=C/CCCCCCC(=O)O > 37.3 > 278.224580195 > 0 > 20 > 0 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 $$$$