HMDB0304766 RDKit 3D trans-12-Octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -8.5777 -0.0239 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1511 0.4538 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3651 -0.4388 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9098 0.0200 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 -0.8641 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -0.3264 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 0.0960 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 0.6226 -2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.5720 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 1.1399 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 1.1505 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -0.1281 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 -1.2788 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.1048 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -0.1640 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 0.0194 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 0.5252 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -0.3832 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0756 -1.6289 0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 0.0737 2.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6297 -1.0446 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2899 0.6690 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9005 -0.0963 2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6928 0.5166 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1703 1.4890 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7922 -0.4211 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3661 -1.4661 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 1.0734 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -0.0157 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -1.9036 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -0.9199 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 -0.3197 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 0.0351 -2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 1.6880 -2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.0098 -2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1825 -0.5032 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 1.1715 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 0.5824 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 2.1982 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.6841 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 1.8833 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.4787 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 0.1487 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -2.2043 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -1.5764 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -2.1475 0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -0.7396 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 -0.4242 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 0.8437 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -0.8964 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 0.7779 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 1.4542 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 0.9525 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.3524 2.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 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