HMDB0265083 RDKit 3D PA(20:3(8Z,11Z,14Z)/18:2(9Z,11E)+=O(13)) 120119 0 0 0 0 0 0 0 0999 V2000 -14.1882 1.2639 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1730 2.5811 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 2.9677 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7097 3.1391 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2045 1.8790 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8973 2.1478 -1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7819 1.5565 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4496 0.4410 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4548 -0.2138 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5871 -0.3090 1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7197 0.2388 2.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5417 1.0013 2.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3104 0.5705 2.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0505 -0.6770 3.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 -1.6838 2.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8842 -1.9816 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2404 -3.0468 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 -2.8884 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5086 -1.6820 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 -1.7731 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -2.8407 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -0.7041 -1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -0.7774 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -1.0517 -0.8029 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9778 0.0638 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 -0.2030 1.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 1.0371 2.2195 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7676 1.4481 2.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 0.3876 3.5805 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 2.3266 1.5823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -1.1317 -1.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 -2.3578 -1.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -3.3251 -0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 -2.5260 -2.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -3.9155 -2.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 -4.3313 -0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 -3.4149 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2538 -3.4545 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -2.5402 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -2.5206 -1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2276 -2.0570 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7196 -0.9867 -3.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6647 -0.1176 -2.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1272 0.9814 -3.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0712 1.8778 -2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4579 2.9031 -3.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 1.6354 -1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8085 2.3749 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8378 3.8601 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0804 4.6224 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6881 4.3850 2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1400 1.3003 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2347 0.7803 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5134 0.4970 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3507 3.3578 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1080 2.6881 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8374 2.1899 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2260 3.8952 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7323 3.9763 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9428 3.4702 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8985 1.6666 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2934 1.0882 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9434 3.0060 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8827 1.9655 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4552 0.6286 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0771 -0.3870 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2351 -0.7894 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5053 -0.8990 2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5468 -0.5345 3.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4177 1.0079 3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5488 1.9856 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 1.1906 2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.4669 4.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 -1.2334 4.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1022 -2.6072 3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -1.3026 2.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8999 -1.0511 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9419 -2.2717 1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8425 -3.2179 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3002 -4.0267 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -3.8111 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 -2.9463 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1291 -1.6611 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 -0.7588 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -1.5842 -2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 0.1828 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 -2.0259 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.1743 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 1.0250 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -0.5433 3.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 2.7809 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -2.3315 -3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -1.7530 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -4.5986 -2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 -4.1435 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -5.3331 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -4.4968 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -2.3820 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 -3.8578 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 -4.4813 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 -3.1300 -2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 -1.5335 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 -2.8838 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 -1.9806 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 -3.6139 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -2.6577 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 -0.7107 -4.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0140 -0.3394 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7589 1.1773 -4.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6589 0.5647 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 1.9879 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1653 2.0499 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7259 2.0525 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 4.0505 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8681 4.1913 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2219 5.7062 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0183 4.3942 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6561 3.3232 2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0468 4.9288 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7015 4.8213 2.2091 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 30 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 51120 1 0 M END