HMDB0062784 RDKit 3D Octadecadienoate 52 51 0 0 0 0 0 0 0 0999 V2000 -6.5017 3.5237 -1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3476 3.1573 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 2.3165 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 1.0059 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 0.2827 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 -1.0321 -0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -1.6301 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -0.7181 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -1.3523 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 -0.3740 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -0.9319 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -2.2493 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 -2.7703 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -1.7946 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -1.1543 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5995 -0.4300 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3018 -0.6105 2.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 0.0999 3.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 -0.1054 4.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 0.9743 3.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 3.0372 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 3.1973 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3844 4.6403 -1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2065 4.1159 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 2.6950 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 2.8083 -0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 2.0124 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1844 1.2236 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1058 0.4580 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0684 0.1115 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 0.9881 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -1.7269 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -0.9151 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -1.7713 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -2.5993 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 0.2665 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 -0.6278 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 -2.3317 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -1.5134 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -0.2613 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 0.6232 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -0.1533 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -0.9930 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -2.9951 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 -2.1268 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 -3.0575 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 -3.6774 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 -1.6816 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 -0.2984 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 0.2834 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -1.3183 2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 1.9532 3.8431 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 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 2 0 15 16 1 0 16 17 2 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 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 20 52 1 0 M END