HMDB0114530 RDKit 3D PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -9.4833 5.1600 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8774 5.3377 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9991 4.0478 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4509 3.6765 -1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5751 2.4057 -2.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9859 1.9954 -2.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5036 0.8846 -2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7628 -0.1779 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4463 -0.3556 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9398 -0.2434 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6088 0.0726 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 0.3737 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4345 -0.3508 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2039 -1.6102 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0734 -2.6925 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0759 -3.5199 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8724 -3.4480 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 -3.2534 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -2.2359 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -1.1057 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -0.9832 1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 -0.8398 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 -0.3635 1.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -1.1494 -0.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -1.0088 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -1.8473 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -3.2852 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -3.3089 0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 -4.8701 0.7012 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1410 -5.2438 -0.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 -4.8086 2.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -6.0002 0.9025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 -6.8330 2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -7.8495 2.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -8.6883 0.9652 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3675 -8.0180 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -9.5799 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 -1.7656 -0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -1.3732 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 -1.0519 1.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -1.3010 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 -0.8816 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 0.4677 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 1.6191 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1344 1.5683 -1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2856 2.6967 -1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3343 4.0217 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 4.5238 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6214 4.0897 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 2.9614 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5692 3.0378 -1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2662 4.0397 -1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0603 5.4390 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3612 5.9861 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8307 5.3200 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0527 5.3519 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 4.5611 2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6138 5.1868 0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 4.2496 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2361 6.0834 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8232 5.6355 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4242 6.1529 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4242 3.2340 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6123 4.2304 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0121 4.4593 -2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9353 3.5766 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8698 1.6151 -2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2613 2.7369 -3.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6839 2.6821 -3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5720 0.6542 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9935 -1.1264 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7040 -0.0688 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5623 -0.6268 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6841 -0.4294 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2907 -0.6866 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7739 0.9906 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5457 1.3090 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 -0.0580 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0058 -1.9075 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3251 -1.4202 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9235 -2.8361 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1322 -4.2903 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8108 -4.4628 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 -2.6963 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -4.0694 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0751 -2.2698 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8733 -1.1143 1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 -0.1305 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -1.8784 2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 -0.0473 2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 -1.3027 -1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.0771 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -1.5195 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 -3.8395 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -3.8030 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -5.2380 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 -7.3252 1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 -6.2339 2.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 -8.4772 3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -7.3416 2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 -7.5805 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 -8.6911 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 -7.1733 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -9.3468 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 -9.6126 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -10.6106 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7065 -0.7240 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -2.3550 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 -1.6183 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 -1.0141 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6030 0.6130 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 0.6645 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 2.5283 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 1.6306 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 0.5773 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8745 1.6689 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0209 2.5054 -2.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 2.6609 -2.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 4.0494 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9770 4.8281 -2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2059 5.4996 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 4.7187 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6653 2.3702 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6831 2.1473 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9453 1.9890 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1888 3.7945 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2699 5.7845 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0202 5.9635 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1633 5.8929 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 7.0910 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8882 5.7225 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0287 4.2312 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0470 4.9888 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0079 6.4192 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8772 4.6550 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 3.4979 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5069 4.9660 3.4529 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 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