HMDB0287605 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/18:2(10E,12Z)+=O(9)) 135134 0 0 0 0 0 0 0 0999 V2000 -1.3761 1.1848 9.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 0.6125 7.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 1.6144 6.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 2.2176 6.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 1.9364 5.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 1.4276 4.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.9929 3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 3.1139 3.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 3.9386 5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 5.2111 5.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 6.0372 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 7.1398 3.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 7.3037 2.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 6.4306 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5964 7.1084 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 6.0469 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 4.9670 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 3.9508 -1.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 2.8549 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 1.8300 -2.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 0.7889 -2.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 1.8991 -3.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 0.8476 -4.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -0.4451 -3.8164 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8726 -1.5837 -4.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 -2.7814 -4.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 -4.0451 -5.3905 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9179 -3.7140 -6.6429 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -5.4882 -4.7883 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5048 -4.2302 -5.7958 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 -4.9347 -6.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 -5.0649 -7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -3.8164 -7.4229 N 0 0 0 0 0 4 0 0 0 0 0 0 2.0340 -2.8237 -8.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 -3.2457 -6.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -4.0728 -8.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 -0.2005 -3.4969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8693 -0.1015 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 -0.2280 -1.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2989 0.1591 -1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 0.4093 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -0.6924 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2166 -1.9683 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0716 -3.0452 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6253 -4.3494 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 -4.8668 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -5.0253 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 -6.1056 0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -4.0167 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1374 -4.2109 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -3.1803 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -3.2685 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -4.4137 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 -3.9266 2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -5.0024 3.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 -5.6815 2.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 -4.7602 2.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 1.1426 9.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8915 0.5879 10.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 2.2545 9.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7021 -0.3001 7.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 0.3605 7.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 1.8726 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 2.9640 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 1.2634 6.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 2.9847 6.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 0.5135 4.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 1.4766 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 2.6957 3.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 3.7447 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 3.4892 5.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 5.7774 6.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 5.5045 3.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 6.5944 4.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 7.8689 4.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 8.1804 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 5.5012 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 6.0780 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 7.8656 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 7.5791 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 5.5328 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 6.5202 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 4.4757 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 5.3761 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 3.5541 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 4.5038 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 3.3194 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 2.4441 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 0.6563 -4.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 1.1250 -5.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5386 -0.6026 -2.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -1.3772 -5.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -1.6774 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -4.4143 -7.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -5.9741 -6.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -5.6608 -8.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 -5.6330 -6.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.9499 -8.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -3.2157 -9.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 -2.4775 -7.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 -4.0832 -5.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -2.5986 -5.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -2.6411 -6.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -3.1403 -8.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7307 -4.8470 -9.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 -4.3593 -7.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 1.0572 -2.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8464 -0.7110 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 0.5894 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 1.3973 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9193 -0.4417 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -0.9583 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 -2.2620 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3067 -1.7106 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 -3.1226 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -2.7368 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6347 -5.1149 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6356 -4.2098 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -5.8400 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 -4.1597 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 -3.1089 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -5.1445 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -2.2645 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -2.4325 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -5.2161 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -4.8918 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -3.5398 3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -3.0736 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -5.7357 3.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -4.5102 4.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 -6.2375 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 -6.4148 3.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -4.8524 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 -5.0690 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5861 -3.7048 2.5445 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 M CHG 2 29 -1 33 1 M END