HMDB0000573 RDKit 3D Elaidic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -7.3773 0.9259 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6569 -0.2275 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7927 -0.0439 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1095 -1.1660 -1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6549 -1.2246 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 0.0608 -1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.0965 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 1.1722 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 0.9211 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 1.6619 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 1.3561 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 0.1876 -0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 -0.1138 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 -0.4271 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 -0.7392 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 0.3836 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6212 0.0737 1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2175 -1.0747 0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6404 -1.7628 0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5332 -1.4364 1.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2013 1.8637 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4771 0.6837 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 0.9909 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5925 -0.1928 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0645 -1.2078 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3162 0.9167 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8757 -0.0424 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -2.1371 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1869 -0.9985 -2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -2.0934 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 -1.4358 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 0.9184 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 0.2978 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 -0.9635 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 -0.2063 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 1.3160 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 2.0245 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 0.1067 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1664 2.4990 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 2.2758 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 1.1521 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7149 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2374 0.3312 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -1.0564 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3698 0.6866 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 -1.3300 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 0.3802 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -1.7145 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -0.8855 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 1.3048 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 0.6456 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6997 -0.1381 2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3096 0.9358 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7743 -1.8055 2.1557 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 2 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 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 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