HMDB0304769 RDKit 3D trans-16-Octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -8.4077 2.3709 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2924 1.3984 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1935 1.4021 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 0.3891 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8611 -0.4383 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 -1.5201 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 -1.3563 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.8463 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3985 -0.8680 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -0.0310 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -0.0942 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -1.4752 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -1.4601 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -0.6122 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -0.6729 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 -0.1595 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 1.2677 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 1.7894 -1.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 1.0752 -2.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 3.0861 -1.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1893 2.9441 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3435 1.7683 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4987 2.9645 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3681 0.6569 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 2.1089 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3928 -0.1782 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 1.0168 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 -0.9329 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7856 0.2245 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -2.3454 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9656 -2.0312 1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -2.3865 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -0.7635 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 0.1701 -1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -1.5272 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -0.6089 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1367 -1.9567 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 -0.4250 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 1.0254 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 0.6458 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0303 0.2551 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 -2.1207 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -1.8602 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0013 -0.9719 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1401 -2.5007 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0305 0.4409 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 -1.0317 2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 -1.7715 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -0.1276 2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 -0.2140 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9511 -0.7488 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.2880 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 1.9094 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6187 3.8393 -1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 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 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END