HMDB0113073 RDKit 3D PE-NMe(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -14.2506 -2.9764 2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4030 -3.0300 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1019 -4.4245 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0469 -4.6622 -0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1616 -3.4235 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8826 -3.7760 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6584 -3.5586 -0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5099 -2.7675 -1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3679 -1.5607 -1.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7140 -0.3479 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3048 -0.1272 -1.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7614 0.5629 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7776 -0.0470 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 -1.4024 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2614 -1.3122 -1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -1.1065 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6595 -0.0910 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.3081 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 0.9914 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 1.6708 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 1.9859 -1.9164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 1.9676 0.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 2.6946 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 2.1852 1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 1.1488 0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 -0.0765 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 -0.4097 0.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -0.9529 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 -0.7217 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 0.6314 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 0.5020 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.3086 1.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3092 -0.3941 2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 -1.7124 1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8966 -2.8571 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4429 -3.4781 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2669 -3.0158 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7552 -2.9284 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1927 -4.4043 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 -4.4762 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 -4.0387 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9241 -3.9733 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 4.1292 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 4.5370 -0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 6.1996 0.1687 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2143 6.6648 -1.3404 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 6.7165 0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 6.7755 1.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 7.8044 1.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 8.6458 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 8.8226 -0.0382 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 9.6756 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8779 -2.1721 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3826 -3.9665 2.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1726 -2.6419 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7865 -2.2520 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4531 -2.7991 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8061 -5.2018 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7609 -5.5729 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6746 -2.5540 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0508 -3.5367 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9044 -4.3088 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7689 -3.9168 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0220 -3.4644 -2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5099 -2.7439 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4231 -1.5132 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3943 0.5512 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 -0.9698 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0409 0.6379 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0783 1.5227 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3519 0.3417 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2751 -1.9905 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -1.9243 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4432 -0.4465 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2704 -2.2447 -2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 -0.8659 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4281 -2.0899 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 -0.6179 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2911 0.7843 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -0.5999 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 1.0192 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 0.3130 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 1.7865 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4337 2.9105 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 3.0514 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 2.0141 2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 -2.0046 0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -0.8860 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4484 -1.4588 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8451 -1.0272 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 1.4418 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 0.8344 -1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -0.0787 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2603 1.5918 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 -0.3409 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 1.2577 2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2013 -0.4622 3.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 0.2541 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 -2.0287 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 -1.5586 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0998 -3.2673 2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0337 -4.3467 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9077 -2.0200 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8009 -3.7803 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6990 -2.3892 -2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2845 -2.4045 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6598 -4.7398 -2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8767 -5.0685 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9046 -5.5107 -1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -3.8143 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9987 -3.2437 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3279 -4.9618 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2237 -3.0667 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2778 -4.8480 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4160 -3.8572 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 4.7003 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 4.0896 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 7.1674 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 7.5419 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 8.4917 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 9.5755 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 8.0430 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1598 9.1393 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 9.1445 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5415 10.5930 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 9.8842 -0.9627 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 1 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 2 0 26 28 1 0 28 29 1 0 29 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 2 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 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 47118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END