HMDB0112156 RDKit 3D FAHFA(16:1(9Z)/8-O-16:0) 96 95 0 0 0 0 0 0 0 0999 V2000 12.1728 1.2911 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6807 1.4448 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0095 0.1895 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5187 0.3187 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 -0.9124 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 -0.7925 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 -0.6240 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5432 0.4273 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 1.5662 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 1.8837 -0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 0.8675 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -0.3854 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -1.3115 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -1.6595 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -2.6361 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 -2.0568 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -1.7907 1.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -1.7462 -0.5433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 -1.2055 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 -2.1307 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 -1.6267 -1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7279 -1.4533 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -0.9315 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7961 -0.7790 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9222 -2.0522 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7433 -3.0300 0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8826 -4.3119 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 0.1339 -1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 1.1951 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 1.5665 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 2.1405 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 3.4138 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 4.5178 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 4.8688 1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 4.1534 2.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 5.9903 1.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7457 2.1454 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4685 0.3286 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2785 1.1823 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4775 1.5318 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2961 2.3226 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 0.0096 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 -0.6892 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 0.4963 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 1.1969 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0095 -1.0273 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 -1.8068 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 -1.8219 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 -0.0375 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 -1.4161 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 0.4499 -2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 1.4718 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 2.5126 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 2.2461 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 2.8622 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 1.3128 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 0.6570 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.1698 -2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.9347 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 -0.8055 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -2.2569 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 -2.0375 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 -0.7229 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -2.8964 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 -3.5632 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -1.1455 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -3.1624 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -2.2168 -2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 -0.6871 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5841 -2.3646 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7943 -2.4834 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1773 -0.8300 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6628 -1.6013 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 0.0897 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2076 -0.0065 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8479 -0.4065 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 -2.4684 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4991 -1.8097 2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2932 -3.2518 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7645 -2.6053 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8913 -4.7743 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3104 -4.0930 2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 -5.0421 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 0.4648 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.0154 -2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 0.8623 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 2.0799 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 2.3619 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 0.7584 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6864 1.4723 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2669 2.3877 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0519 3.7766 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 3.2756 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 4.2494 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 5.3987 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 6.7137 1.2279 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 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 19 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 9 53 1 0 10 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 26 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 36 96 1 0 M END