HMDB0114247 RDKit 3D PE-NMe2(20:2(11Z,14Z)/18:2(9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -6.4362 4.5071 -5.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9168 4.4196 -7.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 4.6471 -8.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 3.7568 -8.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 3.8156 -7.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 5.1549 -7.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 5.3963 -7.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 4.4276 -7.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 4.4224 -6.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 3.3564 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 2.0710 -5.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 1.6808 -4.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 0.3397 -4.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.7674 -5.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 -1.2503 -4.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -1.8749 -2.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -1.1411 -1.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 -0.0237 -1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 0.6852 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 -0.2229 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 -1.1693 0.8681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -0.0348 2.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 -0.9564 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 -2.3107 2.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 -3.3909 3.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -4.6137 3.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 -5.8425 4.5484 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8405 -5.8699 4.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -5.5494 6.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 -7.3631 3.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -7.6014 2.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -8.9429 2.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -9.1729 1.9451 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -10.5257 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 -8.2748 0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 -2.2334 2.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9344 -2.4861 1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 -2.7788 0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -2.4285 1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -1.0818 1.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 0.0508 1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 1.3626 1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 2.4977 0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 3.8543 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 4.4324 2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 3.7548 3.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 3.2329 4.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 3.2645 5.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 4.0022 6.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 3.5029 7.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 2.1302 7.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 1.3001 8.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 0.9888 9.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 1.9895 9.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 3.0744 8.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3144 4.9130 -5.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6197 5.1933 -5.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2756 3.5061 -5.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3613 3.3856 -7.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7812 5.1412 -7.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6499 5.7377 -8.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5734 4.5930 -9.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2266 2.6976 -8.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 3.9104 -9.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 3.0848 -7.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 3.4972 -6.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 6.0086 -6.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 6.4733 -7.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 4.9502 -8.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 3.5015 -7.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5687 5.3872 -6.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 3.4035 -4.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 1.3095 -5.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 1.9093 -6.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 1.7524 -3.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 2.4367 -4.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 0.5036 -5.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4762 0.1862 -4.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -0.5278 -6.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -1.6548 -5.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -2.0242 -4.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.4765 -4.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 -2.2611 -2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -2.8947 -3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.7516 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 -1.9150 -0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -0.4073 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 0.7541 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 1.1954 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.5125 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -1.0631 3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -0.5889 4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5533 -2.6168 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 -3.5433 4.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -3.1123 4.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -6.3857 6.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -6.8150 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -7.5784 2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5685 -8.9518 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -9.7722 2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 -11.1188 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 -10.5351 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -11.0202 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 -7.5996 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -7.6966 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 -8.8569 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -3.2588 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.4915 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 -1.0493 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -0.8944 2.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.0950 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -0.0391 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 1.3273 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 1.4205 2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 2.3917 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 2.3216 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 3.9266 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 4.5522 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9943 5.5159 2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 4.7006 2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 3.6621 3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 2.7464 5.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 3.7620 4.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 2.2086 5.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3363 5.0895 6.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 4.2323 8.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 2.1436 7.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3356 1.5320 6.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 1.6373 9.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 0.2640 8.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 0.4421 8.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.1317 9.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 2.4747 10.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 1.4221 9.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 4.0737 8.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3067 3.2514 8.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 2.7149 7.7019 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 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 55137 1 0 M END