HMDB0260725 RDKit 3D PE(18:2(10E,12Z)+=O(9)/14:1(9Z)) 114113 0 0 0 0 0 0 0 0999 V2000 15.1446 -1.0997 1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2450 0.0153 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1711 -0.4208 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2713 -1.4861 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6033 -1.0353 1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2994 -0.9855 1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3900 -1.3807 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 -0.2166 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 -0.6996 -0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6572 -1.8174 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7628 -1.3728 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8682 -2.5093 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -2.0183 2.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -0.8639 1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 0.3370 1.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -1.0439 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -0.0060 0.8027 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3333 -0.0650 1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 0.9652 0.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 2.3103 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1089 2.6983 1.6596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 3.3076 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 2.7524 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 1.8031 -1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3012 1.2571 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 0.5492 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3267 -0.0285 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2618 0.9867 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6946 2.0331 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8261 2.9462 -0.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9667 2.1416 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9779 1.2870 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2102 1.5163 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2476 0.7308 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2730 -0.4770 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5175 -1.7360 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8482 -1.6537 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0333 -2.9308 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3640 -2.8445 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -0.1731 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.1027 -1.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 -0.2642 -3.0435 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8662 -1.2400 -3.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -0.8736 -3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 1.2570 -3.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 1.7368 -3.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 3.0864 -3.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 4.0762 -3.5505 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8193 -1.3764 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1530 -1.9604 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2157 -0.8019 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7444 0.5351 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8623 0.7787 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6429 0.4629 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6883 -0.8849 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6939 -1.9345 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 -2.2959 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2195 -0.7103 2.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8182 -0.6314 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -1.9493 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -2.0820 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1147 0.5851 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 0.1824 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 0.0981 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2442 -1.1667 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 -2.7596 -0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 -2.0302 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 -0.9409 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0624 -0.5695 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -3.3674 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 -2.8527 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -1.6098 2.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 -2.8108 2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 0.9996 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 0.0739 2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -1.0588 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 4.1486 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 3.8094 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 2.1982 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 3.5887 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 0.9154 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 2.3209 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9969 0.4805 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8806 2.0271 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2159 1.1679 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 -0.3050 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8069 -0.6241 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0771 -0.7500 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7901 1.4604 -2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1538 0.4369 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1438 2.9881 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7912 0.4628 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3073 2.3898 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1564 0.9851 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3642 -0.6166 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1336 -0.4129 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7284 -1.8006 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4985 -2.6153 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6761 -1.4957 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8296 -0.7972 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2234 -3.0569 2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0673 -3.7734 1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0122 -2.0770 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1710 -2.6057 3.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8740 -3.8485 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3723 -1.1973 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 0.5584 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 -0.5929 -4.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 1.8482 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 1.0281 -3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 3.0681 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 3.3901 -3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0967 5.0431 -3.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 3.8822 -2.6507 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 17 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 6 18 75 1 0 18 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 31 91 1 0 32 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 44108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 M END