HMDB0114291 RDKit 3D PE-NMe2(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 4.6499 10.2171 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 11.4476 -2.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1141 11.3231 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 10.1806 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 10.1113 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 9.9121 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 8.9004 1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 7.8061 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 6.5611 1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 5.8013 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 6.0771 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 6.1702 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2036 5.3961 -2.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 4.3227 -2.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 3.0107 -3.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 2.0104 -2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 1.9957 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 0.9583 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -0.4459 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -0.8453 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -2.2643 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -2.6193 -2.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -1.9159 -3.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 -3.8877 -2.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -4.2542 -3.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 -5.6197 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -5.6293 -3.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 -6.7459 -3.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -7.8363 -3.8468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 -6.6107 -2.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 -6.6523 -1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -6.5187 -0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 -5.2853 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 -4.2948 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 -4.2973 1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 -4.2055 2.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -3.1640 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 -2.0636 3.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 -1.9340 4.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.8524 4.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.4187 4.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1197 0.8821 5.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2461 0.2056 6.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5933 0.1438 5.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9945 -0.2953 4.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6784 0.6218 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1501 -0.0041 2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8358 0.9344 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -4.2991 -4.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 -5.2312 -3.5224 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -5.1743 -4.0735 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4643 -3.7343 -4.3789 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1914 -6.0908 -5.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0422 -5.8192 -2.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6532 -4.7877 -2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5128 -5.4018 -1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -6.2298 -0.1481 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -7.4041 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5793 -6.6163 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 9.9890 -4.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 9.3696 -2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 10.4234 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 12.3065 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 11.7051 -3.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 12.2584 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 11.1160 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 9.2154 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 10.4005 -2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 9.4327 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9307 11.1426 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 10.7088 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 8.8295 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 7.6573 2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 7.9953 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 6.3107 2.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 4.8852 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 7.0678 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 5.3500 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 6.9286 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 5.5329 -3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 4.2962 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 4.4971 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1389 2.8782 -4.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 1.0689 -2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 1.7256 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 2.9572 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 1.0275 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 1.1985 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 -1.1434 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 -0.4730 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -0.1519 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -0.7227 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -2.5292 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.9710 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -3.5526 -4.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 -5.9052 -5.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 -6.3557 -3.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2385 -5.6480 -3.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -7.4584 -3.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 -7.6470 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -5.8602 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8807 -6.8457 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -7.3629 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1178 -5.1252 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 -3.4196 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -3.7011 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 -5.3649 1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2741 -5.0278 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -3.1188 4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 -2.1102 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 -1.1638 2.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -2.8510 4.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -0.7974 5.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 0.5343 3.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 1.1951 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 2.0040 5.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 0.9892 6.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 -0.8921 6.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 0.6022 7.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -0.4158 6.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0942 1.2087 6.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6922 -1.3474 4.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1545 -0.4029 4.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6933 0.9479 3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3153 1.5713 3.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2377 -0.2052 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 -0.9571 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 1.9651 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6638 0.8277 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8949 0.6279 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 -3.2972 -4.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 -4.6129 -5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8736 -7.0128 -5.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2107 -4.1125 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8495 -4.1788 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3066 -5.9979 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0695 -4.6136 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 -8.2762 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2447 -7.2827 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9853 -7.6195 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0506 -6.3986 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 -7.6820 0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 -6.0093 1.0003 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 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 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 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 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M END