HMDB0114365 RDKit 3D PE-NMe2(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -0.7241 -9.9724 -6.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 -9.4301 -4.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -8.2567 -4.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 -7.0166 -4.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -6.4411 -4.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 -7.2797 -3.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 -7.2283 -4.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -6.2496 -5.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -5.4351 -4.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 -4.1540 -4.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 -3.3520 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -2.6903 -3.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -1.3811 -3.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -0.4337 -4.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 0.4706 -4.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 1.4956 -3.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 1.1720 -1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 2.4342 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 2.2539 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 1.9556 0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 1.8310 -0.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 1.8194 2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 1.5584 2.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 1.6606 3.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 0.5854 4.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 0.6245 4.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 -0.6569 5.3195 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7748 -1.7126 5.5753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -0.0009 6.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -1.3830 4.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 -1.3690 3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -2.0510 2.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 -1.4069 3.0303 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7442 -0.0907 2.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7834 -1.4710 4.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 2.9154 4.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 3.8459 4.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 3.6338 5.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 5.2005 5.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 5.3684 4.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 5.3351 3.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 6.3992 2.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 6.9330 2.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 6.2987 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 5.4505 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8781 5.2218 1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 4.3588 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2729 4.6861 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9727 3.7264 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9533 2.3308 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 1.4854 -1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 0.0823 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3106 -1.0422 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -1.0429 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.3372 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2882 -2.4883 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7626 -1.4324 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -10.8882 -6.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 -9.2345 -7.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 -10.2184 -6.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -9.4312 -4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -10.2431 -4.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -8.4635 -5.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -6.2908 -4.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -5.8449 -3.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0735 -5.5670 -4.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 -8.0087 -2.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 -7.9341 -3.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 -5.7621 -5.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 -6.8834 -6.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -5.9445 -4.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -3.5852 -4.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 -3.9032 -5.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -2.6458 -5.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -3.3232 -2.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 -1.0204 -2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.2293 -4.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 -0.9224 -5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -0.2172 -4.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 0.9924 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 2.0040 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 2.3800 -3.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 0.3094 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 0.9757 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 2.7189 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 3.2110 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 3.2363 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.5371 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 2.2230 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 0.5208 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 1.4129 4.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 0.5522 5.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 -0.3995 4.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 0.6533 6.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 -0.3875 2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -2.0358 2.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -3.0955 2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -1.9900 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8309 0.1595 2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 0.6189 3.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 0.0206 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3454 -0.5993 4.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8649 -1.5818 4.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 -2.3854 4.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5361 5.1368 6.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 5.9473 5.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 4.5174 4.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 6.2980 4.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 4.3158 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4078 5.3408 2.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 6.0811 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 7.2921 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 7.6957 3.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 7.7822 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 7.1124 2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 5.6541 3.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 5.9747 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 4.4601 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 6.2267 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 4.7423 2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 3.3069 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7174 4.4419 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 5.7479 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 4.1000 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4064 1.9921 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6733 1.8223 -2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3093 1.5657 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 1.7565 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7659 0.0797 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -0.1159 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -1.0916 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 -2.0416 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 -0.9791 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -0.1729 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -3.1742 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 -2.3314 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -3.4675 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -2.4882 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.8253 -0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 -1.8695 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 -0.8401 1.4306 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 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 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 2 0 49 50 1 0 50 51 1 0 51 52 1 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 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M END