HMDB0114096 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/15:0) 124123 0 0 0 0 0 0 0 0999 V2000 4.8818 -6.0707 -1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 -6.2750 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -5.3061 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 -3.8889 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -3.1687 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 -1.7708 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 -0.7350 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -0.5730 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -1.6454 -1.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -2.0871 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 -1.6657 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -0.5098 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 -0.5968 1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 -1.8073 2.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 -1.6458 3.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 -1.4905 3.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 -2.6555 2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -2.3571 1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 -3.2855 1.5067 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -1.0785 1.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 -0.7040 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9977 0.7895 1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5609 1.1149 3.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 2.4982 3.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1615 2.9277 4.9971 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5204 1.7624 5.9191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 4.3387 5.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4771 3.1510 5.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 2.6706 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 2.8559 6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 2.1539 5.1897 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 2.3517 5.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 2.6374 3.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 1.4877 0.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4228 2.5487 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6246 2.9193 0.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4472 3.2779 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 4.1329 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 4.8519 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 3.9218 -1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 4.7643 -2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 3.9428 -3.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 3.1423 -4.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 2.3264 -5.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 1.3047 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 0.5619 -6.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 -0.4686 -5.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -1.2486 -6.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -1.9750 -7.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -2.7346 -8.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 -7.0959 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8726 -5.7794 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0295 -5.4836 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 -6.3069 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 -7.2972 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 -5.7351 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -5.2894 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -3.8019 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 -3.3545 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -3.6765 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 -3.3371 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9015 -1.6485 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 0.2460 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.0905 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 0.2113 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -2.1840 -2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -2.9833 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 -1.4412 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 -2.5370 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2748 0.5351 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 0.3886 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 -1.8172 3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 -2.7567 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -2.5191 4.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.7873 4.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2154 -0.5565 2.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -1.2802 4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -2.9792 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -3.5326 3.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6285 -1.1988 2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0719 -0.9468 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 1.1461 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 0.6554 3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 0.7724 3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6279 4.0815 6.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 3.2555 7.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 1.5845 6.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0932 2.4125 7.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 3.9286 6.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 2.0154 6.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 3.3875 5.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 1.7193 4.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 2.0793 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 2.5641 3.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 3.7228 3.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 2.4671 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0081 3.8789 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 4.8968 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 3.5683 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 5.5623 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 5.5067 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 3.3746 -2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 3.2553 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 5.3348 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 5.5029 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 4.6287 -4.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 3.2699 -2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 3.8437 -5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 2.4855 -3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 1.8511 -6.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 3.0366 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 0.5522 -4.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 1.8114 -4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 0.1232 -6.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 1.2983 -6.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 0.0496 -4.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -1.1993 -4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 -0.5763 -7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.9670 -5.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 -2.6854 -6.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5901 -1.2299 -7.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -3.7944 -8.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 -2.6711 -9.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 -2.3539 -8.4539 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 32 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 33 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END