HMDB0260758 RDKit 3D PE(14:1(9Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 121120 0 0 0 0 0 0 0 0999 V2000 -15.1761 -5.2112 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1375 -3.6858 -1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0969 -3.2791 -2.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0304 -2.5726 -2.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7609 -2.1072 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6993 -0.5769 -0.6838 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.6746 -0.1901 -1.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3232 -0.1135 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0531 0.0769 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7353 0.5266 2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5191 0.7371 2.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3661 0.5340 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1433 0.7454 2.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9099 0.5600 1.5425 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1820 -0.5462 1.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0764 1.8559 1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9283 2.9101 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7316 3.6531 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 3.6319 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 2.6929 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 3.0406 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 4.4196 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 4.7207 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 3.9137 1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 3.8787 2.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 3.2143 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 2.4332 0.4548 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9222 3.0482 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 2.3886 -0.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 2.6724 -0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 3.5781 -1.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5446 1.9060 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 1.1630 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 0.3543 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4495 -0.3660 2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 -1.1949 2.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9267 -2.4331 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 -2.3361 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8751 -3.7115 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1123 -3.8737 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1285 -2.8336 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2671 -3.2318 0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3659 -2.1752 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8173 -0.8269 1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 0.9858 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 0.9808 -1.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 -0.5226 -1.9919 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3774 -0.7220 -2.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -1.7258 -0.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.7891 -3.2708 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 -0.4385 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 -0.6633 -4.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -0.2972 -3.6311 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5178 -5.6182 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1478 -5.5615 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8148 -5.5496 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0444 -3.3358 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1280 -3.3529 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2487 -3.6050 -3.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3184 -2.3331 -2.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6978 -2.4177 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3683 -2.5251 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6383 -0.1273 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8825 0.7277 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0903 0.0757 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3274 -0.1210 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5548 0.7017 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3827 1.0783 3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4889 0.2053 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 1.0773 3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2814 0.4685 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 -0.8436 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 1.7596 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0386 2.0527 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8942 3.0942 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5584 4.4336 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 4.7076 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 3.4758 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7348 1.6221 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 2.2087 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9201 4.5079 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 5.2227 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 4.5853 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 5.7859 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 2.4664 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 3.0068 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 4.1115 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4498 2.5550 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 1.1388 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1545 1.8578 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5477 0.4264 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 1.0887 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7972 -0.2280 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 0.4255 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -1.0193 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 -0.5324 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 -1.3922 3.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7299 -2.9666 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 -3.1895 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -1.5189 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 -2.2193 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1618 -4.5227 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4370 -4.8985 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5543 -2.7769 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 -1.8212 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8655 -3.2901 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7134 -4.1631 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7826 -2.1180 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1402 -2.4797 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2635 -0.3873 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1240 -0.9715 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6430 -0.1409 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 0.4583 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8285 0.5306 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 -1.8508 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 0.5861 -2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -1.1049 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 0.0619 -4.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -1.6575 -4.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.7479 -2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 0.6854 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 2 0 30 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 27 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 6 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 49115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 M END