Ketcher 11242013592D 1 1.00000 0.00000 0 54 53 0 0 0 999 V2000 3.2923 0.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1509 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0271 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2748 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9032 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3988 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7792 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5227 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6553 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6466 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7704 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4076 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1597 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7879 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6641 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6338 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6681 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5442 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5099 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7921 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7577 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3859 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4204 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8815 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9160 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2965 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2620 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0399 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0055 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1725 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1294 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1637 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0486 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0143 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1728 -0.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4673 0.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3681 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4076 -0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1597 -0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 -0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7879 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6641 -0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 0.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 1 54 1 0 0 0 2 22 2 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 23 1 0 0 0 3 24 1 0 0 0 4 6 1 0 0 0 4 25 1 0 0 0 4 26 1 0 0 0 5 7 1 0 0 0 5 27 1 0 0 0 5 28 1 0 0 0 6 8 1 0 0 0 6 29 1 0 0 0 6 30 1 0 0 0 7 9 1 0 0 0 7 31 1 0 0 0 7 32 1 0 0 0 8 10 1 0 0 0 8 33 1 0 0 0 8 34 1 0 0 0 9 11 1 0 0 0 9 35 1 0 0 0 9 36 1 0 0 0 10 12 1 0 0 0 10 37 1 0 0 0 10 38 1 0 0 0 11 13 1 0 0 0 11 39 1 0 0 0 11 40 1 0 0 0 12 14 1 0 0 0 12 41 1 0 0 0 12 42 1 0 0 0 13 43 1 0 0 0 13 44 1 0 0 0 13 45 1 0 0 0 14 15 2 0 0 0 14 46 1 0 0 0 15 16 1 0 0 0 15 47 1 0 0 0 16 17 2 0 0 0 16 48 1 0 0 0 17 18 1 0 0 0 17 49 1 0 0 0 18 19 2 0 0 0 18 50 1 0 0 0 19 20 1 0 0 0 19 51 1 0 0 0 20 21 2 0 0 0 20 52 1 0 0 0 21 22 1 0 0 0 21 53 1 0 0 0 M END > CHEBI:166893 > eicosatetraenoic acid > 2 > C20H32O2 > 304.474 > 304.24023 > 0 > O(C(=O)\C(=C(\C(=C(\C(=C(\C(=C(\C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])\[H])/[H])\[H])/[H])\[H])/[H])\[H])[H] > InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-19H,2-11H2,1H3,(H,21,22)/b13-12+,15-14+,17-16+,19-18+ > IQLUYYHUNSSHIY-HZUMYPAESA-N > https://en.wikipedia.org/wiki/Eicosatetraenoic_acid $$$$