HMDB0113331 RDKit 3D PE-NMe(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -4.9735 4.2006 8.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 4.6349 8.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 3.4891 8.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 3.8685 8.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8018 5.0639 7.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 5.3557 7.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 5.3304 6.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 5.0151 5.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 6.1963 4.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 6.8801 3.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 6.5286 3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 6.2450 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 5.1276 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 3.9368 2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 3.5322 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 2.3597 1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 1.3469 1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 0.0643 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.6199 1.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 -0.9954 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 -1.7211 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -2.0733 -1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7681 -2.7371 -1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7864 -1.7013 -2.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 -2.0100 -3.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 -2.8587 -3.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -4.0693 -3.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -4.9491 -3.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -4.6812 -4.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -6.2541 -2.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -6.1024 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -5.3029 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 -5.6301 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 -5.5640 -1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 -5.9175 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -5.8969 -2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -4.6461 -3.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 -3.4376 -2.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 -3.6506 -1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -3.5297 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -3.1599 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3432 -1.9303 1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6059 -0.6801 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 -0.2009 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 1.1132 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 1.5333 -1.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7664 -1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 2.8269 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 -0.7854 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 0.0204 -4.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 1.3919 -5.1528 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2416 2.1604 -4.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 2.2933 -4.9375 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 1.0646 -6.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 1.8384 -7.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 1.6301 -8.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 1.9427 -9.5743 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 1.7436 -10.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0974 3.6507 7.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 5.1206 8.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2583 3.6115 9.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 4.8832 9.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 5.5202 8.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 2.6351 9.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 3.1435 7.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 2.9869 8.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 4.1267 9.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 4.8900 6.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 5.9410 8.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 5.6067 8.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 5.5647 7.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 4.5705 5.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 4.2212 5.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 6.4994 4.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 7.7468 3.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9119 5.8801 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 7.5342 3.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 7.0587 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 5.0808 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3851 4.2848 3.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 3.1632 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 4.2765 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 2.1295 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 1.6605 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 1.0927 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -0.6326 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 0.2407 3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6946 -1.4542 2.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 0.1398 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5504 -0.0563 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 -1.6777 0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6735 -1.0021 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 -2.5658 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 -2.6075 -3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -3.1095 -4.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 -2.2617 -3.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 -6.7670 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 -6.9618 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 -5.7680 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 -7.1550 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -4.1829 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -5.3231 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 -6.6554 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -4.9575 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 -4.4633 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -6.0644 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -7.0069 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -5.3984 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -6.7281 -3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -6.1497 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2335 -4.3663 -3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -4.8305 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7907 -3.0652 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 -2.6405 -3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -3.9261 -2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1026 -3.7116 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0007 -3.1668 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 -4.0040 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 -2.1358 2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -1.7652 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 0.1426 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -0.6852 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -0.8824 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 0.0734 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 1.8693 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7311 0.9367 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 2.4200 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 0.6951 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 0.8168 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 2.1476 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 2.6641 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 2.9239 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 3.8441 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 -0.1895 -4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -1.1515 -5.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7055 3.2250 -4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 2.9190 -7.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 1.6220 -6.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 2.3414 -9.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 0.6117 -9.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 2.9912 -9.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 2.1066 -11.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 2.4400 -11.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 0.7291 -11.3390 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 53136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M END