HMDB0030964 RDKit 3D Linolenelaidic acid 50 49 0 0 0 0 0 0 0 0999 V2000 7.4878 -0.8111 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4184 0.2373 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -0.0793 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 -1.1437 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 -1.4649 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0265 -0.4303 0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 0.3308 1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 1.3586 1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 1.2995 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 1.0350 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 0.7527 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 -0.6317 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -0.7488 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 0.1809 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 0.2145 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 0.5774 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2284 0.6386 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8904 -0.6614 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3007 -1.7442 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2961 -0.6368 0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3404 -0.5003 -1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8438 -0.8334 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1382 -1.8230 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 0.2697 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 1.2425 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 0.5609 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1197 -1.8073 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -1.5520 2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 -2.4257 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -0.3594 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 0.2404 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 2.3440 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 1.2593 2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 1.4965 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 1.0146 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0445 0.9316 1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 1.5377 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 -1.3229 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -0.9009 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 -0.7133 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -1.8429 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 1.2779 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 0.0328 -2.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -0.7548 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0673 1.0271 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3901 -0.2173 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2913 1.5641 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3893 1.0096 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 1.3659 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8059 -0.3946 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 20 50 1 0 M END