HMDB0284322 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(10,12,15)-OH(9)) 130129 0 0 0 0 0 0 0 0999 V2000 -5.4618 1.7254 3.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 2.7385 2.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6252 3.0673 1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2688 2.8551 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 2.2545 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 3.1763 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 2.9073 -2.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 1.6475 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 0.9366 -3.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 0.6206 -4.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 0.9229 -5.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 1.7374 -6.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 2.9427 -7.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 3.6410 -6.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 4.8939 -5.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 5.6326 -5.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 5.3547 -5.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 5.3139 -4.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 5.0774 -5.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 5.0092 -3.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 3.9088 -2.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 2.5476 -3.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 2.3739 -4.6845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 1.4365 -2.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 0.1177 -3.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 -0.9278 -2.1441 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7518 -0.6627 -0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 0.6785 -0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 1.1165 0.6825 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1192 2.4381 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 -0.1014 0.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 1.3220 2.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 1.7561 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 1.9121 3.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 0.6660 3.9023 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 -2.2317 -2.6799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 -3.1602 -2.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -2.7691 -1.8491 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.5545 -3.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -5.3412 -2.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -5.6533 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 -6.6017 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 -6.4388 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 -5.2842 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -5.1122 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 -3.8913 1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -4.1091 1.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 -3.3921 3.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -3.2162 3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -2.7100 5.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 -2.5321 5.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 -2.0099 7.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -0.7257 6.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 0.3653 7.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6767 1.6739 7.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 2.2515 8.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3394 2.2157 4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 1.4564 4.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8868 0.8662 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 3.6888 3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 2.5332 2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6283 3.5308 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0185 3.1609 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0819 1.2254 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 2.1608 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 4.1438 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 3.6077 -2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 0.9908 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 1.8911 -3.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 0.6638 -2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 0.0808 -4.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 -0.1156 -6.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 1.1722 -5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.2444 -7.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 3.4143 -7.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 3.0006 -5.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 3.9152 -7.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 5.3356 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 6.5734 -4.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 6.1957 -6.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 4.4185 -6.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 4.4927 -3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2943 6.2776 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 4.1624 -5.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 5.9526 -5.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 5.9690 -3.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 4.9436 -4.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 4.0619 -2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9418 4.0885 -2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 0.0449 -4.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 -0.0073 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 -0.7619 -1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 -1.2394 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -0.7177 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 0.2765 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 2.6941 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 0.9445 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 2.1957 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 2.7462 3.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 0.5342 4.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6786 -0.1104 3.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -4.3727 -4.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 -4.9706 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -6.2472 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 -4.7000 -2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -6.0166 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.6966 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3337 -7.6309 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -6.7706 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -7.3697 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -6.6393 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -4.3079 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 -5.3531 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -4.9298 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -5.9688 2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -3.0291 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -5.0886 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -3.1425 3.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -3.4441 3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 -2.4730 5.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 -2.7561 5.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -2.7363 7.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -1.8665 7.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 -0.6965 6.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.3116 7.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 1.6239 6.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 2.3939 6.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 3.0934 8.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.5438 9.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 2.7137 9.1010 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 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 46 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 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 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 56130 1 0 M END