HMDB0114146 RDKit 3D PE-NMe2(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 5.0279 -2.0387 5.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -3.0282 6.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -4.3829 6.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 -5.3013 5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 -5.1442 4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -6.1369 5.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 -5.7985 6.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -4.4340 6.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 -4.2272 5.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -3.2740 4.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -2.2780 4.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.8584 4.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 0.1028 4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 1.5523 4.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 1.7681 6.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2489 3.1479 6.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5107 3.6221 5.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 3.7793 4.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 4.5718 3.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 3.1369 3.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 3.1405 2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7143 2.6021 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 3.4040 0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 3.2036 1.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 4.2135 1.1671 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2915 3.6893 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 4.1133 2.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 5.8006 0.9352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 6.1034 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 7.5378 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 7.8990 -1.9453 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 7.2173 -2.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 7.7175 -2.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 1.2292 1.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 0.3462 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 0.7911 -0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -1.1231 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3799 -1.6814 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -3.1119 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -3.5914 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -5.0804 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 -5.7394 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -6.2761 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -6.3615 -3.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 -5.8546 -3.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -4.8240 -4.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 -4.1469 -4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -2.7583 -4.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -1.7222 -4.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 -1.5353 -6.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 -2.5841 -7.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -2.7374 -8.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -1.8827 -8.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1424 -2.6920 -9.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.6987 -9.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -2.3328 -10.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -1.2608 -10.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 -2.1454 6.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 -2.2404 4.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 -1.0232 6.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 -2.7605 7.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -2.8145 6.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4864 -4.6499 6.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3256 -6.2786 5.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 -4.1586 5.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -5.2945 3.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 -7.2019 5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 -6.6404 6.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -3.6260 6.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -4.4903 7.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -4.9696 5.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 -3.1986 4.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 -2.2510 3.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 -2.3655 4.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.8765 5.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -0.6649 4.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 0.0372 3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.0722 4.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 2.1570 4.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 1.7936 3.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 1.0282 6.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 1.5628 6.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 3.2912 7.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 3.9164 6.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 3.0311 6.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 4.6536 6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 2.7164 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 4.2424 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 2.6789 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 4.4836 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.2390 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 4.9291 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 5.3910 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 5.9444 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 7.6759 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 8.2204 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 7.9668 -2.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 6.3224 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 6.9790 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 8.0385 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 6.7009 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 8.4121 -3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -1.6243 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -1.2757 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 -1.4983 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 -1.0966 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -3.3281 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 -3.7665 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 -3.5620 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -3.0754 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 -5.5287 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -5.1482 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -5.7813 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 -6.7373 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -7.5373 -3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 -6.2181 -3.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -6.3983 -3.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -4.4373 -5.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 -4.6478 -4.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 -4.1489 -5.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.5615 -3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -0.7121 -4.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 -0.9488 -6.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 -0.6920 -6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -3.2928 -6.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -3.5765 -9.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -1.5655 -9.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.9653 -8.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4095 -3.3723 -10.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -3.2475 -8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -0.9327 -8.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -1.1716 -10.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -3.0797 -10.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -2.8560 -9.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 -1.6583 -10.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 -0.9362 -11.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 -0.3859 -9.9571 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 33102 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 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M END