HMDB0114124 RDKit 3D PE-NMe2(18:3(9Z,12Z,15Z)/14:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 0.0721 -3.2068 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 -4.1620 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -4.3042 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 -3.9874 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -3.4268 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -2.1122 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4975 -1.8583 -1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -2.8137 -2.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6335 -2.2304 -3.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -2.7112 -4.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -3.9644 -4.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3371 -3.6800 -5.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -2.6912 -5.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 -2.4185 -5.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.4338 -5.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 -1.0905 -5.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 -0.1180 -5.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 -0.7563 -3.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -2.0024 -3.7703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 -0.0503 -2.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 -0.7429 -1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 0.3217 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4492 -0.4657 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 0.1388 1.2738 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 0.6070 2.5762 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9198 -0.0056 2.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 0.3835 4.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8649 2.3165 2.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2278 2.5552 2.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3614 4.0823 2.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 4.6116 1.2383 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 6.0546 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2191 4.0969 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 1.2012 -0.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 2.5535 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 2.9129 -1.4237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 3.5089 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 4.2302 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 5.1695 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 4.4365 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 3.4063 2.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 2.6653 2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 1.5536 2.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 0.4747 2.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -0.0093 3.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 0.3977 5.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 0.7788 5.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.9765 4.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 3.2185 5.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -3.1639 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.2044 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 -3.4559 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 -5.1215 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 -3.7566 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 -4.7186 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -4.1509 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -4.1113 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 -3.1697 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7052 -1.3756 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -0.8611 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 -2.8149 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0196 -3.8518 -2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 -1.2818 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 -2.1506 -5.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -4.6228 -5.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 -4.5564 -4.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -3.2380 -6.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -4.6077 -5.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 -1.7202 -4.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 -3.0854 -4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -3.3378 -6.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -1.8912 -6.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9696 -0.5057 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 -1.8213 -4.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -1.9964 -6.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 -0.5802 -6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 0.7719 -5.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 0.2165 -5.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -1.1857 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 -1.5562 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 0.8532 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 -1.3202 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2515 -1.1158 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5871 -0.6222 4.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7037 2.2280 3.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6608 2.0665 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4145 4.3716 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 4.4241 3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 6.3975 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6888 6.5191 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1057 6.4847 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 4.7577 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 3.0489 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3242 4.2001 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 4.3259 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 3.0516 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 3.5964 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 4.9096 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 5.6713 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 5.8979 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 5.1497 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 3.9904 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 4.0421 2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 2.7718 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 3.4326 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 2.2792 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 1.9324 4.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 1.0994 2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 0.0515 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -0.8472 3.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.5141 5.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 1.2343 5.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 -0.0471 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 0.9708 6.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.7683 3.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 2.1614 5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 3.0797 5.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 4.0767 4.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 3.4377 6.3703 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 27 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 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 49119 1 0 M END