HMDB0277796 RDKit 3D PI(20:3(5Z,11Z,14Z)-O(8,9)/22:3(10Z,13Z,16Z)) 154155 0 0 0 0 0 0 0 0999 V2000 11.4264 -0.9085 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4047 0.0561 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 0.7420 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6588 1.7212 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 2.3071 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.2538 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 3.1278 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 1.9699 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7169 2.4449 3.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 2.2037 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 1.4306 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 0.2122 3.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 0.6086 4.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -0.2371 3.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4378 0.2678 3.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.0131 1.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 0.8857 0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 2.3202 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 2.7215 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 1.8322 0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 2.1136 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 2.7354 0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 1.7366 -1.1194 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 1.8599 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7584 0.9065 -1.7786 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3639 0.7902 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4778 0.2026 0.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1884 0.0919 1.9868 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.9021 -1.2102 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3408 1.3408 2.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9386 0.3327 3.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8409 -0.6834 4.0355 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4324 -1.2647 4.0663 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0481 -1.7946 2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3605 -2.3607 5.1033 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0442 -2.8237 5.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 -1.9057 6.4706 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9543 -3.0361 7.2571 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -1.0685 6.5126 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9352 -0.3391 7.7191 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 -0.0615 5.4102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0467 0.8678 5.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2884 -0.4025 -2.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6635 -1.0921 -3.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5036 -0.5058 -4.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1943 -2.4388 -3.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 -2.2923 -4.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 -1.7911 -3.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -1.6008 -3.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -1.1441 -2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -2.1489 -1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.4509 -2.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 -3.2605 -2.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 -4.5470 -3.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -5.1167 -2.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -4.5323 -2.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -4.3566 -2.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2916 -3.2705 -2.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 -1.9486 -2.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 -1.0039 -3.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 -0.2689 -3.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -0.2142 -3.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 1.2411 -2.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 2.2057 -3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 1.8807 -4.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2713 2.8836 -6.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 4.2834 -5.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5405 -1.7334 -0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9328 -1.3402 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3457 -0.3664 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6221 -0.4822 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 0.7726 -1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1818 -0.0223 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 1.2763 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 2.5117 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 1.2786 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 1.5315 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 2.9355 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 4.1535 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 3.9111 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 1.3028 2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 1.3547 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 3.0363 4.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 2.5989 4.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 2.0372 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1455 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -0.4567 3.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.3014 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 1.2998 3.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -0.3663 3.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -1.0416 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 0.5523 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 2.6253 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 2.8962 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 3.7520 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 2.5959 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 0.7566 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 2.0257 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3489 1.8783 -3.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0579 2.9119 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5365 1.1072 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2780 0.1456 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6575 1.8129 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1985 1.0987 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6045 -1.4732 3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 -0.4506 4.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -1.5959 2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 -3.2263 4.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 -3.5846 4.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 -1.3705 6.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 -3.2075 7.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9099 -1.6746 6.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6886 0.3233 7.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0664 0.4259 5.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 0.7491 6.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 -3.1531 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -2.8452 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 -1.6007 -5.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.3106 -4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 -2.5610 -2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1268 -0.8574 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -2.5211 -4.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -0.8014 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 -0.2536 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 -0.7630 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 -2.3486 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -1.7179 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -4.0884 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 -4.0152 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 -2.5878 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -2.8299 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 -5.1287 -4.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 -6.1136 -3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -3.6947 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -5.3622 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0802 -5.2896 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -3.2570 -3.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 -1.9189 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 -1.5971 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -0.8843 -4.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 0.4031 -4.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -0.8439 -2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.5270 -3.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.3222 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 1.4847 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 2.2650 -4.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 3.2504 -3.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 0.8871 -5.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 1.8845 -4.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 2.8179 -6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 2.5782 -6.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 4.2379 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 4.8053 -5.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 4.8277 -6.2632 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 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 25 43 1 0 43 44 1 0 44 45 2 0 44 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 14 12 1 0 41 32 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 24100 1 0 25101 1 6 26102 1 0 26103 1 0 30104 1 0 32105 1 6 33106 1 1 34107 1 0 35108 1 6 36109 1 0 37110 1 1 38111 1 0 39112 1 1 40113 1 0 41114 1 6 42115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 58137 1 0 59138 1 0 59139 1 0 60140 1 0 61141 1 0 62142 1 0 62143 1 0 63144 1 0 63145 1 0 64146 1 0 64147 1 0 65148 1 0 65149 1 0 66150 1 0 66151 1 0 67152 1 0 67153 1 0 67154 1 0 M END