HMDB0304768 RDKit 3D trans-15-Octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -7.5816 1.7005 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7492 0.5323 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 0.2159 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8177 -0.9700 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9216 -1.3925 -1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8538 -0.4745 -1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 -0.2034 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -1.5127 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -1.3004 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -0.3634 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -0.1624 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 0.7854 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 1.0924 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1663 -0.1396 1.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 -0.8354 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 0.0361 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8290 0.5142 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6337 1.3539 -0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3554 2.5516 -1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7468 0.8004 -1.3673 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7701 2.3795 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5391 1.3471 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0243 2.2814 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2228 0.8171 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3769 -0.3493 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1332 0.9945 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5783 -1.7096 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6033 -1.5588 -2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5477 -2.4252 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 0.5257 -2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 -0.8071 -2.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 0.4895 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0779 0.3049 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 -2.1719 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -1.9640 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 -2.3019 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 -1.0348 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 0.6224 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 -0.8719 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.2970 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 -1.1168 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4758 0.3910 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 1.7427 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 1.7476 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0646 1.6680 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 0.2006 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -0.8643 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 -1.7140 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8822 -1.1684 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -0.5881 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1217 0.9088 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4459 -0.3252 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5884 1.1496 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 0.8758 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 25 1 0 3 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