HMDB0112692 RDKit 3D PS(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -13.1974 2.9758 -1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7432 3.9485 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5405 5.3417 -1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9066 6.2913 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2423 6.1090 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8376 6.4775 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8292 5.7519 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6628 4.3681 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7566 3.4535 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7653 2.3029 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6664 1.8891 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 1.7340 -1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8640 0.6173 -2.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4438 -0.6527 -1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2057 -1.1618 -2.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0901 -1.4695 -1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9356 -1.3415 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6756 -2.6884 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 -3.3772 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 -2.6715 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -1.5956 1.1868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 -3.2056 0.1902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -2.5674 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 -3.3366 0.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6894 -4.8004 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -5.0547 1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -6.7058 2.0727 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0634 -7.4750 1.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -7.0580 3.6998 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -7.2546 1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3715 -8.0862 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -8.5786 -0.0725 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3796 -9.3211 0.9636 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 -9.4329 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -10.6222 -1.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -8.8466 -2.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 -2.7453 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 -2.1110 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 -1.9658 -1.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 -1.5967 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -0.9156 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8763 -0.4513 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 -1.5925 1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -1.3389 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 -0.8781 2.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 0.3216 2.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 0.7243 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 2.0885 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4903 1.9923 1.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5202 2.2811 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3853 2.7570 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0549 1.8615 -1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0289 2.2257 -2.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6127 3.5705 -2.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0889 3.3933 -2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8523 4.6673 -2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2831 5.6188 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1174 6.9044 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7807 2.1167 -1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4154 3.5192 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0239 2.6702 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8513 3.7115 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3312 3.6465 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9989 5.6014 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8653 7.2938 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7852 6.8255 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5081 5.1225 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6426 7.5575 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8353 6.3349 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3195 4.4992 2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7068 3.9577 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6345 3.5800 2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6471 1.6413 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2165 0.9547 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 2.5733 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3010 2.6141 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1107 0.5879 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2442 -1.4129 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3968 -0.7698 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1746 -1.3095 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2061 -1.8440 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -0.7317 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7044 -0.8467 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5788 -2.5143 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5806 -3.3420 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4124 -3.5868 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3943 -4.3497 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 -2.4522 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -1.5668 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.2032 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 -5.1438 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 -5.3054 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -6.2857 4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7482 -7.6427 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 -8.9913 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 -7.7468 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2459 -9.7806 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 -8.7110 1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 -7.9774 -2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -2.4598 1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2989 -0.8542 1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 -1.6124 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 0.0133 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 0.3017 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 0.1501 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9152 -2.2823 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -2.2938 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9816 -0.5693 3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4839 -2.2641 3.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 -1.0271 3.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 -1.7787 2.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1334 1.2435 2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5362 0.2670 2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9454 -0.0141 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 0.8382 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 2.6003 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 2.7000 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7745 1.6685 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5574 2.1822 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3183 2.8987 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 3.7766 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 0.8244 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4754 1.4911 -3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1743 4.3086 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6126 3.9996 -3.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5583 2.7042 -3.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1121 2.9247 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9274 5.1495 -3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9139 4.3955 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2534 5.1722 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2497 5.8952 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6540 7.5630 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0785 7.3949 -2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1605 6.6318 -0.9660 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 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 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 6 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 6 33 97 1 0 33 98 1 0 36 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END