HMDB0261092 RDKit 3D PE(18:0/20:3(8Z,11Z,14Z)-O(5,6)) 132132 0 0 0 0 0 0 0 0999 V2000 -1.0531 -9.3188 6.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 -9.2519 6.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -8.0020 7.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -6.7344 6.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -6.6695 4.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -5.4385 4.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8853 -5.4364 3.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -6.6704 2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 -6.7659 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -6.8677 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 -6.9063 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 -5.7791 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 -4.8500 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -4.7536 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 -3.5349 2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3115 -2.3592 1.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -2.3469 1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1539 -1.9412 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 -2.0337 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 -1.3835 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -1.4227 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -2.1997 -2.9141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -0.6564 -2.8415 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -0.6846 -4.2054 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3518 0.5978 -4.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 0.4340 -4.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 1.2971 -4.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 2.3480 -5.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 0.8943 -4.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 1.8776 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 3.1979 -4.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 4.1946 -4.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 5.4929 -3.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 5.4266 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 4.9846 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.9487 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 4.5103 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8151 4.3096 1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 5.3546 2.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 5.9414 3.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6166 6.9738 4.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 7.6387 4.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 8.3927 3.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 9.4842 2.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 10.1799 1.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4444 -0.6830 -4.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5437 -0.7347 -5.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1277 -0.7243 -6.5328 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0872 -0.4912 -8.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0217 0.5644 -5.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9218 -2.1963 -6.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5999 -3.1448 -7.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3697 -4.4024 -6.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9809 -4.8466 -5.6074 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 -8.3270 6.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 -9.6216 5.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 -10.0900 7.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 -10.1031 6.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -9.4142 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 -8.0550 8.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 -8.0255 6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5323 -6.5126 6.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -5.8973 6.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -7.6037 4.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -6.5371 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -4.4653 4.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -4.4614 2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -6.5646 2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 -7.5614 3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 -6.7472 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 -6.9378 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7488 -7.0617 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -7.8606 -0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 -5.6847 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -4.0325 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 -4.7860 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -5.6225 1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 -3.6238 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 -1.6946 2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 -0.8398 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -2.4352 1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -1.3572 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1472 -3.0226 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 -0.3702 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -1.9682 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 -1.4868 -4.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 1.4295 -4.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 0.6518 -5.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6305 -0.1186 -4.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 0.7676 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 1.9424 -5.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 1.4895 -4.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 3.0458 -2.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 3.6585 -4.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 4.3681 -5.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 3.7777 -4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 5.8351 -4.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 6.3188 -4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 4.7766 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 6.4429 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 5.6953 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 3.9799 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3861 4.3136 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 6.0065 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3564 5.1741 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 3.5193 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 3.3706 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 3.8481 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 6.2186 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1129 4.9464 3.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 6.4843 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 5.1777 3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 6.3716 5.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 7.6734 3.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 8.2914 5.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 6.8427 4.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 8.9023 3.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 7.6745 2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 10.2464 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 9.0572 2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 9.7639 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 9.9868 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 11.2720 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 0.2676 -4.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9563 -1.5689 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5215 0.1789 -5.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8492 -2.8211 -8.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 -3.4199 -7.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1392 -5.2278 -7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4751 -4.1860 -6.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9688 -4.6289 -5.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 -5.8859 -5.5895 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 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 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 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 17 15 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END