HMDB0044249 RDKit 3D TG(16:0/18:2(9Z,12Z)/16:0) 157156 0 0 0 0 0 0 0 0999 V2000 3.8072 11.4411 1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 11.3367 2.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 9.8781 3.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 9.7789 4.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 8.3326 4.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 7.7866 2.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 7.3508 2.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 7.3272 3.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 6.1104 3.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 4.8638 3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 4.3820 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 3.4042 3.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 2.1324 4.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 1.1385 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -0.0923 5.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -0.9075 4.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 -0.3725 3.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.2261 2.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 -2.1684 1.9088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -0.8904 1.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3734 -1.4181 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4174 -2.4290 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5822 -3.6240 1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -4.2380 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 -3.7241 -0.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0865 -5.3566 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 -5.7581 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -6.8641 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.7031 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 -6.8867 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -6.5172 -2.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 -5.0498 -2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5561 -4.5760 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 -4.7874 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 -4.2948 -5.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -2.7854 -5.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 -2.3099 -7.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 -2.9298 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 -2.6046 -5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -1.0999 -5.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -0.5703 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3091 -0.3222 -1.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 0.4375 -2.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9721 0.9882 -2.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 0.5147 -2.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 1.5475 -1.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 1.3317 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1867 0.0803 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 -0.1881 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -1.5310 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 -2.0661 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -2.2999 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -2.8888 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 -3.1745 -1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 -2.0908 -2.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -0.9176 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -0.0289 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3872 1.1324 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 0.5736 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2276 12.4588 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5612 10.6729 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 11.2147 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 11.9234 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 11.7759 3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 9.2843 3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 9.5461 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 10.4394 3.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 10.1160 5.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 8.3184 4.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 7.7169 4.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 7.7128 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 7.0025 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 8.0044 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 8.0245 4.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 6.2458 4.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 4.0672 4.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 5.0482 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 3.6847 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 3.1038 3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 3.8066 4.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 2.3826 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 1.7275 3.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 0.8067 4.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 1.5775 5.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 -0.7787 5.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9868 0.1612 5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 -1.1301 3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -1.9147 4.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 0.6618 3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 -0.5219 4.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -2.1681 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0474 -2.7258 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0332 -2.1942 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 -6.1880 -0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 -4.9812 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0466 -6.1376 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -4.8959 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 -7.8512 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -6.9625 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -5.7085 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 -7.4284 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 -8.0758 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 -6.7006 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -7.1753 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -6.6805 -3.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 -4.4168 -2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 -4.9106 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 -5.1831 -3.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -3.5148 -3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -4.2698 -4.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -5.8754 -4.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 -4.4760 -6.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -4.7831 -5.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -2.5823 -4.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -2.2833 -5.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -1.2087 -6.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -2.4088 -7.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -2.5397 -8.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -4.0393 -7.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -3.0617 -6.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -2.9639 -4.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -0.6907 -6.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -0.6030 -5.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 -0.9226 -5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1067 0.3925 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1613 -1.1552 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 0.7556 -3.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 -0.5057 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 1.5778 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 2.5511 -2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 2.1804 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 1.4124 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 -0.8348 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 0.1164 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 -0.1310 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 0.5737 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 -2.2268 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -1.4104 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -1.4690 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 -3.0730 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -3.0964 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 -1.4432 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 -3.9392 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -2.4296 0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 -4.0577 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -3.5908 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0084 -2.5739 -3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 -1.7535 -3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -0.2239 -2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 -1.2183 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1385 -0.4593 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 0.4272 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 1.7465 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5975 1.7107 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4646 -0.3049 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3297 0.2737 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2405 1.2894 0.5806 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 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 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 59157 1 0 M END