HMDB0113106 RDKit 3D PE-NMe(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -1.6169 -0.0935 -9.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 -0.0274 -8.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 0.5030 -7.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 -0.1763 -6.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -1.5445 -5.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -2.5056 -5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 -3.2126 -4.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -3.1192 -3.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -4.5024 -3.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -5.1442 -2.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 -4.7479 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -3.4644 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -3.2651 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -4.1265 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 -5.5366 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -6.4165 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 -6.1103 1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -6.7288 2.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8338 -6.2640 4.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -4.7608 4.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -4.3744 4.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 -2.8784 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -2.1890 4.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 -2.2786 4.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 -0.8981 4.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 -0.2975 6.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 1.0982 5.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 2.0342 6.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 1.6698 8.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 3.4740 6.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 4.1083 6.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2767 5.5264 5.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 5.7408 4.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 5.0447 3.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 5.3867 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 4.6891 1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 5.0378 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 6.4383 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 7.2108 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 7.2197 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 6.0168 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 5.9665 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 4.7989 -3.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 3.4791 -2.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 2.3589 -3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0871 1.0168 -2.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.5463 3.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -0.9581 2.5541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -0.5107 1.7579 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4816 0.3608 0.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 0.3500 2.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -1.9192 1.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 -1.6105 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -2.8695 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5677 -2.5878 -0.7349 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2669 -3.7947 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 -0.5594 -10.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.9080 -9.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -0.7185 -9.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 0.7577 -8.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 -0.9923 -8.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 1.5099 -7.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 0.3317 -5.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 -1.8552 -6.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 -1.4087 -4.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 -2.5696 -6.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 -3.8903 -4.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -2.5129 -3.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9709 -2.6269 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -4.9916 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -6.2040 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 -5.5461 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -4.8061 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -2.5696 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 -2.1674 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -3.7155 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -3.8750 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 -5.9746 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -7.4755 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8645 -6.6529 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 -5.0752 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -7.8525 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -6.5657 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -6.5363 4.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 -6.7383 5.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -4.5121 5.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -4.1983 3.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 -4.7818 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 -4.6897 5.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 -0.4511 4.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -0.7000 6.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -0.5594 6.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6302 3.6081 5.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 4.0204 7.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 3.5066 5.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 4.0984 7.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 5.9480 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 6.0880 6.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 6.8262 4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 5.4478 4.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1727 5.3556 3.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 3.9549 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 6.4823 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 5.0765 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 3.5904 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 4.7934 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 4.4553 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9157 4.5411 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 6.4955 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 7.0869 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 6.9951 -2.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 8.3485 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 8.1594 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 7.2421 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 5.0598 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 6.2123 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 5.8351 -3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 6.9031 -3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 4.8891 -2.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 4.7596 -4.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 3.3540 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 3.3274 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 2.5589 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 2.4054 -4.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 0.7504 -3.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 0.2725 -2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.1161 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -1.0127 4.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 0.5544 3.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6707 -0.0697 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3084 -1.0461 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 -0.9313 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8452 -3.2961 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 -3.6063 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2474 -1.9898 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0232 -4.0407 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0076 -4.6605 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3775 -3.6787 -1.0868 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 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 1 0 34 35 1 0 35 36 1 0 36 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 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 51130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END