HMDB0113980 RDKit 3D PE-NMe2(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -1.4757 -1.4606 8.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2977 -1.0749 7.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.2925 7.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 1.3871 7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 1.4393 5.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 1.6792 5.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 2.6920 4.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 3.6948 4.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 3.6508 2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 4.6524 1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 6.0276 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 6.8628 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 7.7961 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 8.1459 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 7.8179 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 6.9998 -1.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 6.3721 -1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 6.7813 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 5.9548 -3.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 4.5132 -2.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 3.7307 -4.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 2.2758 -3.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 1.8349 -3.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 1.4543 -4.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 0.1266 -3.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 -0.8568 -4.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -2.1735 -4.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 -3.3281 -5.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 -3.1870 -6.2451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 -4.6922 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 -4.8815 -3.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 -4.6803 -2.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -3.3511 -2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -3.3488 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -4.4149 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 -4.3724 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 -5.5620 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 -5.4851 -2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9178 -4.2687 -2.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8709 -4.4397 -3.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8042 -3.2705 -3.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 -3.0627 -2.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -4.2665 -1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4522 -4.6102 -2.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -0.1360 -2.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 0.1129 -3.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9547 -0.2258 -1.8490 P 0 0 0 0 0 5 0 0 0 0 0 0 7.1604 0.6652 -2.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -1.8441 -1.7856 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1577 0.2382 -0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 1.0540 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 1.4046 1.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 0.2778 2.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 0.8220 3.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -0.4178 3.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2221 -2.2851 8.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 -0.6042 8.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -1.9043 7.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 -1.8678 7.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5565 -1.1109 6.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 0.5192 6.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 0.3047 8.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 1.3241 8.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 2.3654 7.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 0.4406 5.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 2.1505 5.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 0.9284 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 2.8477 3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 3.5787 4.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 4.6910 4.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 2.6884 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 4.5726 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 6.2338 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 6.1944 3.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 6.6119 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 8.3949 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 9.3055 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 7.8500 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 8.2691 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 6.7469 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 6.6620 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 5.2631 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 7.8780 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 6.4281 -3.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 4.1984 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 4.1337 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 3.8608 -4.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 3.9967 -4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 -0.0509 -3.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -0.7814 -5.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 -0.6614 -5.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -5.2896 -4.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 -5.1341 -5.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -4.2579 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -5.9610 -2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -4.9136 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 -5.4866 -2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -3.1478 -3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 -2.5683 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 -2.3564 -0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -3.4800 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 -5.4524 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -4.3170 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4272 -3.4209 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -4.5071 -3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3605 -6.5756 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -6.4270 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5046 -4.3013 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 -3.3613 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2542 -4.5869 -4.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4278 -5.3809 -3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4087 -3.4147 -4.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -2.3589 -3.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3455 -2.2114 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 -2.7956 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8701 -5.1398 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1048 -4.1116 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0661 -3.7443 -3.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2269 -5.3171 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9692 -5.1424 -3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 0.5526 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 -1.1727 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3175 -2.0098 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8225 0.5865 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 2.0130 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 2.0516 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 1.9384 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 0.9596 4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 1.7977 3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9317 0.1281 3.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8809 -1.4133 2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -0.6605 4.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 0.1832 3.1058 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 2 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 2 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 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 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 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 49123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END