HMDB0114267 RDKit 3D PE-NMe2(20:2(11Z,14Z)/24:1(15Z)) 157156 0 0 0 0 0 0 0 0999 V2000 4.3855 0.4017 3.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 0.7770 4.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 0.1678 4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 0.5869 5.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 0.0157 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 0.5501 3.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 1.2789 2.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 1.6951 3.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0771 1.1370 2.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 1.8060 2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1617 3.2737 2.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 3.6254 3.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 5.1253 3.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5299 5.6973 1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6748 5.2318 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 5.7485 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3406 5.2086 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4081 3.7155 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1907 3.0334 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 3.3356 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9154 2.4493 -3.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0862 4.4943 -3.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 4.7810 -4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 3.9779 -4.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 4.2017 -6.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 3.4857 -6.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 3.5745 -7.5263 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5779 2.2020 -8.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 4.5049 -8.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 4.3290 -7.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 4.5416 -5.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 5.2157 -5.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 5.4877 -4.2957 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 6.4858 -3.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 4.3137 -3.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 2.6147 -4.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 1.8344 -3.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 2.4315 -3.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 0.3956 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 -0.3211 -4.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 -1.8136 -4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 -2.4079 -3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 -2.1574 -2.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -2.7422 -1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 -2.4634 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1824 -3.0612 -2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 -4.5600 -2.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 -5.1998 -0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -6.7013 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -7.4491 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 -7.0379 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -7.7851 2.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6564 -7.1984 3.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -5.7751 3.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -5.0782 4.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 -5.6037 6.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 -4.8462 7.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -3.3829 7.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -2.6193 8.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -3.0905 9.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 -2.9969 10.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 0.5920 2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 1.0483 4.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 -0.6481 4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 1.8765 4.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 0.3937 5.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -0.9263 4.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 0.5125 3.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 1.7003 4.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 0.2952 6.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3359 -1.0960 4.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.1602 5.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.2816 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 1.6195 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 2.7808 3.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8332 1.2093 4.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 0.0245 2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8992 1.2162 2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3275 3.6882 3.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1622 3.6720 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4457 3.2081 4.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3474 3.1898 2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7079 5.4889 3.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4792 5.4633 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5375 5.5928 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 6.8313 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5968 5.7273 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8562 4.1725 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5397 6.8398 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 5.4247 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 5.5503 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3327 5.6064 -2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2426 3.4306 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6787 3.3039 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3566 3.2174 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 1.9173 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 5.8710 -4.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 4.3868 -5.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 4.3497 -4.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 5.2761 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 3.8813 -6.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 5.4919 -8.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 3.5305 -5.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 5.1218 -5.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 4.5647 -6.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 6.1926 -6.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 6.6606 -2.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 6.2223 -3.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 7.4437 -4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 3.9169 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 4.5428 -2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 3.5089 -3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 0.0839 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 0.1559 -3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 0.1078 -5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -0.0712 -4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.3034 -5.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 -1.9944 -4.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 -3.5284 -3.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 -2.1572 -2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 -1.0670 -2.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -2.5720 -3.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -2.1577 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 -3.7921 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -1.3584 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -2.7946 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -2.5943 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -2.8186 -1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 -4.9467 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -4.9039 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 -4.7956 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -4.9634 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -7.0723 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 -6.9715 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 -7.2742 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 -8.5263 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -7.4089 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 -5.9641 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 -8.8937 2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -7.8439 4.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9557 -5.6305 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 -5.1541 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 -4.0145 4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -5.0611 4.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -6.6809 6.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -5.5001 6.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 -5.2637 8.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 -4.9550 7.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -3.2323 7.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -2.9216 6.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -2.6360 8.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 -1.5540 8.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -2.3959 10.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 -4.0942 9.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -2.1656 9.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -3.9497 9.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -2.8147 11.2733 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 1 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 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 0 25100 1 0 25101 1 0 29102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 34107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 39113 1 0 39114 1 0 40115 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 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END