HMDB0114381 RDKit 3D PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) 123122 0 0 0 0 0 0 0 0999 V2000 0.5095 -1.2575 6.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -2.7233 5.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 -3.2030 5.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3366 -3.6491 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -3.7263 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -5.1092 2.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -5.4305 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 -4.4554 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 -4.5687 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -3.6934 -1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -2.6981 -1.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -2.7292 -2.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 -1.5931 -3.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.3323 -3.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 0.2108 -4.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 1.4951 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 2.5051 -3.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 3.2466 -2.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 3.8931 -3.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 4.2403 -3.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 5.1544 -2.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 3.4731 -3.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4261 3.3239 -3.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 2.8767 -1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 2.4371 -2.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 1.8076 -3.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 0.8507 -3.8952 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5766 0.6102 -2.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1927 1.3914 -5.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -0.6260 -4.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2491 -1.7691 -3.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1582 -2.3961 -2.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5749 -3.6301 -2.2377 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 -3.6694 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -4.6153 -2.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 1.6572 -1.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1029 1.3823 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 2.3283 -0.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 -0.0913 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 -0.4780 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 0.3014 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 -0.1580 1.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 0.6272 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 2.0656 2.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 2.2490 3.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 3.6770 3.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 4.0245 4.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 3.9869 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 2.8196 3.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 1.7575 4.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 0.6522 3.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -0.8689 5.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.7246 5.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -1.2109 7.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -2.6966 4.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -3.2609 6.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 -3.2003 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 -3.9973 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 -3.4375 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0291 -3.0260 2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 -5.9730 3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 -6.4802 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -4.7745 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -3.4255 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -5.3287 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0547 -3.6919 -2.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 -1.7404 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 -2.8156 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 -3.6394 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -1.6276 -4.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 0.3173 -2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 -0.3271 -2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 -0.4507 -4.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 1.8345 -5.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 3.2460 -4.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 2.2042 -3.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7495 2.6664 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 4.1154 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6903 4.8826 -4.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 3.3493 -4.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 2.5812 -3.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 4.2450 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6804 3.6494 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5837 1.6436 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 3.2757 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1664 0.8470 -6.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 -1.8784 -3.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1762 -2.5402 -4.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 -2.2795 -3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 -1.6371 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -2.9908 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5915 -3.4246 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3463 -4.7111 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -4.7789 -1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -4.1253 -3.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 -5.5002 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.4374 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -0.6643 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 -0.2150 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.5450 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 0.1621 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 1.3833 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 -0.4207 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4215 -1.1677 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 0.5150 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 0.1869 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 2.6206 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 2.5599 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 1.6626 4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 1.9599 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 4.4214 3.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 3.8735 4.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 4.9386 5.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 3.2110 5.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0047 4.7130 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 4.6269 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 2.2643 2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 3.2012 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 1.3328 4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 2.1805 5.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 0.0627 4.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4983 1.1043 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 -0.0280 3.1510 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 2 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 24 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 29 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 34 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 35 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 51123 1 0 M END