HMDB0284069 RDKit 3D PE(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -16.3290 3.8635 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5907 3.6033 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3719 4.4726 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5521 4.3368 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0250 2.9249 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1768 2.4839 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9272 2.1578 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2649 2.2087 1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1287 3.1229 1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9046 2.8029 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2507 1.5766 1.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 0.3833 2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9533 -0.7576 1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0368 -0.9628 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7997 -1.2769 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6541 -2.3713 -1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7349 -3.4586 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8537 -3.7273 -2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 -2.7675 -2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -2.3987 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7715 -1.7856 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -1.5431 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -0.9376 0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3251 -2.0161 -1.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.9214 -0.7664 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7275 -1.1892 -1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -1.2076 -1.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1039 -0.6702 -2.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -0.0953 -3.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5533 -0.8025 -1.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -1.1272 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -0.0795 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 1.1415 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 1.8772 1.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 2.0126 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 3.3564 0.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6964 1.7082 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 1.9333 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2551 0.9435 1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -0.4271 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5967 -0.9695 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7256 -0.3701 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1468 0.9987 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7129 1.6107 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9465 1.9797 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8975 1.8422 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 3.1737 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1566 3.8494 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7538 5.1796 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7537 4.9485 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -3.3306 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -4.0087 0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 -5.5601 0.5979 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3013 -6.4371 -0.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -5.5410 0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 -6.2999 1.9908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -7.2874 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -7.9802 2.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -8.5677 3.5831 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9721 4.7769 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6148 3.9856 -2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9785 2.9967 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3389 2.5073 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2850 3.7378 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7863 4.3113 -1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7225 5.5283 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7625 5.0911 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2218 4.5794 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6876 2.8049 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9776 2.2864 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6268 2.4287 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2842 1.8290 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9601 1.1725 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9229 2.4875 2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3951 4.1797 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2088 3.7236 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3344 1.4679 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7298 1.8321 2.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6929 0.3930 3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5814 -1.5793 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 -1.6882 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5195 -0.0112 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5364 -0.5259 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2630 -2.5707 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4262 -4.3920 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2913 -3.4617 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 -4.0529 -3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 -4.7106 -2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5106 -3.1984 -3.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3767 -1.8083 -3.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 -1.7002 -2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -3.3413 -2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 -0.8146 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 -2.4785 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 -1.4046 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.7135 -2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 -0.1365 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 -1.7225 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 0.0575 -2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 -1.5887 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -2.0046 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 0.3277 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -0.5026 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.9117 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 2.0012 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 2.1377 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5638 3.2039 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 0.7793 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9295 2.5210 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 2.9187 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 1.2446 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -1.1345 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5852 -0.6578 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6111 -2.0809 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5987 -1.0101 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 0.9903 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3715 1.7308 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 1.7155 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3734 2.4371 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6192 1.1495 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8010 1.2913 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 3.8152 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1615 2.9281 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4180 4.0501 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9396 3.1980 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9866 5.8648 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2980 5.5924 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2924 4.5967 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2306 5.9397 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5827 4.2880 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 -3.2763 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 -3.9308 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -4.5943 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -7.9916 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -6.7889 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0641 -8.8233 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -7.2976 3.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -7.9381 3.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -9.4971 3.2188 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 55133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 M END