HMDB0113655 RDKit 3D PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) 132131 0 0 0 0 0 0 0 0999 V2000 4.8491 4.2946 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 5.4361 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 4.9551 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 5.1005 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 5.7386 2.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6318 6.3680 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 5.9730 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 4.8090 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 5.4765 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 5.1521 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 4.0304 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 3.2089 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 3.0381 -1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9392 3.6187 -2.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2368 2.6052 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4793 2.1744 -4.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1251 2.6867 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0445 1.6679 -4.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 0.6579 -3.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -0.3038 -3.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -1.3891 -2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 -0.9088 -1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 0.2770 -0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -1.8454 -0.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -1.4142 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 -2.6234 2.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 -3.1632 2.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5595 -3.6238 0.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 -4.2399 1.0754 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.1565 -5.5150 1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6884 -4.6219 -0.4936 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1881 -3.1369 1.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 -2.0324 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2333 -1.0106 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7808 -0.5509 2.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7586 0.4208 3.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 -3.5323 1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 -3.8192 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 -3.2120 3.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -4.8236 1.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -4.4405 2.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 -5.3153 1.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -4.8062 2.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -4.8112 4.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 -3.7617 4.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -2.3651 4.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -1.4971 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -0.8045 4.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -0.7890 2.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 0.5777 2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 0.9072 1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6218 0.0616 0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -0.0639 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 -0.9533 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 -1.0940 -2.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -1.7001 -3.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 3.9385 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 4.6677 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 3.5343 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 6.1683 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 5.9732 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 4.3991 2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 4.6287 4.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 5.1640 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 6.6415 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 7.2620 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 6.4893 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1471 4.1503 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 4.2211 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 6.3340 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5502 5.7349 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 4.3955 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 3.3759 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 2.7439 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6741 2.4236 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 4.2650 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9088 4.2843 -2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 2.1419 -3.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 1.4098 -5.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 3.5637 -4.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 3.1624 -5.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 1.0807 -5.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 2.2068 -5.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 1.0861 -2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 0.0364 -3.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.8146 -4.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 0.1706 -3.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 -2.0772 -2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 -1.9901 -2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 -1.0370 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -0.6018 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 -2.1921 3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1327 -3.9736 2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -2.3261 2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4561 -3.8488 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2583 -1.6137 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6446 -2.3631 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2668 -0.1509 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2393 -1.4323 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8134 -1.3931 3.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 1.4298 3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8907 0.3326 4.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7502 0.2874 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 -4.7467 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -5.8418 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -4.3740 3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 -3.4250 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 -6.3796 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -5.2600 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9991 -5.4973 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -3.8245 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 -5.8104 4.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 -3.9118 5.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 -2.0311 4.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -2.2451 3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 -1.4586 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -0.2009 4.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 -1.4988 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 -1.1733 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9235 1.3546 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 1.9692 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 0.5172 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 -0.9146 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 0.9487 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 -0.4410 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6131 -0.5736 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 -1.9422 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -1.7728 -3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5856 -0.1068 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 -2.4762 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -0.8777 -3.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -2.0822 -4.1251 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 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 26 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END