HMDB0113599 RDKit 3D PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -7.6541 3.5014 2.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4329 2.7944 3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8311 1.5589 4.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5491 0.4961 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0466 -0.8089 3.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8252 -1.8183 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7727 -2.5056 2.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -2.5439 3.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 -1.7453 4.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -0.9206 4.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -0.7325 3.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 0.4847 2.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 1.7431 2.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 2.2473 3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 3.1338 3.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 4.3898 3.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2173 5.0737 4.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 6.3121 4.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 5.9457 2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 5.0694 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 4.7276 1.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 3.7641 2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 3.5818 3.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 3.0614 1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 2.0908 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 1.4720 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 2.4406 -1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 3.5334 -1.3554 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 4.6464 -2.5062 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0684 5.5926 -1.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 5.5566 -3.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 3.7865 -3.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 4.6840 -4.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 3.9594 -5.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 3.0498 -6.4807 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6816 1.9750 -5.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 0.3730 -0.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -0.9114 -0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -1.0110 -0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 -2.1417 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 -2.5211 1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -3.7486 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4356 -4.0451 1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -4.2606 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 -5.3908 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -5.6245 -2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 -6.6807 -2.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -6.5336 -3.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 -5.2940 -4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -4.7509 -4.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 -5.6866 -4.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -5.0472 -4.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -4.7149 -3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -4.0595 -3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 -3.7185 -1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -3.0649 -1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3309 3.8894 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1684 4.4386 2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8754 2.9151 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4322 2.5342 3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6739 3.5563 4.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5593 1.1830 4.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9351 1.8706 4.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7826 0.8656 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4657 0.3047 2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9495 -1.1544 4.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2858 -0.6006 4.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7433 -1.9695 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 -3.2503 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -2.7117 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 -3.6619 3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 -1.8013 5.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.4454 5.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 -1.4057 2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 -1.3646 3.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 0.3384 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 2.4802 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 1.3664 4.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 2.7552 4.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 2.7052 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9071 4.9674 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 4.5295 5.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 5.4420 5.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 6.7525 4.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 7.0401 3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 6.8757 2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 5.3661 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 4.2229 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 5.7285 3.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6094 5.6552 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 4.3406 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 1.3349 1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 2.6151 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 1.1068 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 2.7560 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 1.9044 -2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 5.9478 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 5.3936 -4.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 5.2447 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 3.4321 -5.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 4.7068 -6.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 3.5310 -6.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 1.8402 -4.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 2.1847 -5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 1.0140 -6.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -1.8767 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 -2.9608 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -1.6090 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -2.6152 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 -4.6130 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 -3.8168 2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -3.1798 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 -4.9310 1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 -4.6894 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 -3.3987 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -5.0833 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 -6.3279 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -4.6525 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 -6.0150 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 -7.6614 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -7.3573 -4.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 -4.4769 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -5.4814 -5.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -4.5631 -3.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -3.7369 -4.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -5.9782 -5.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -6.6153 -4.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -4.1585 -5.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 -5.7769 -5.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -5.6665 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -4.0024 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 -3.1315 -3.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -4.6853 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 -4.6426 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 -2.9591 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 -2.4697 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -3.8652 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 -2.3555 -2.5522 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END