HMDB0114039 RDKit 3D PE-NMe2(18:1(9Z)/14:1(9Z)) 123122 0 0 0 0 0 0 0 0999 V2000 -1.5480 -9.6873 4.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -9.7243 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -9.7874 1.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 -8.5966 1.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 -7.3230 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -6.4974 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 -6.7088 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 -5.6408 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8826 -4.2563 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 -3.3343 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -1.8846 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6217 -1.3545 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3547 0.0891 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 0.3076 -1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7314 0.1646 -2.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 0.7001 -1.6751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 0.8879 -2.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 2.2084 -3.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 2.6653 -2.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 3.0785 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 3.0434 -0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 3.5029 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0903 4.2012 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 3.6615 1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 3.3630 2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 4.5913 2.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 4.3310 2.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 3.2944 1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 3.1432 2.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 3.3714 2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 3.8272 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 5.1757 0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 5.7276 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 4.7762 -1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3407 5.3575 -2.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 4.4494 -3.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 3.1190 -3.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 2.2076 -4.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 -0.1565 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 -0.0521 -2.6127 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0879 -1.1616 -3.0307 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0854 -0.4758 -3.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3614 -2.4837 -3.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9671 -1.7240 -1.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -2.9912 -1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 -3.5858 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 -2.7715 1.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7972 -3.4083 2.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -2.6833 1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -10.2852 4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -10.0577 4.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -8.6550 4.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 -10.6823 2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -8.9164 2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -10.6874 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -9.8436 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -8.6392 3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -8.7745 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -6.9610 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -5.5468 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 -6.5945 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 -7.6624 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 -5.6330 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 -5.8898 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 -4.0224 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 -4.2599 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -3.4294 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 -3.6414 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -1.7593 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 -1.3104 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 -1.3937 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -1.8867 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 0.4768 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 0.7382 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 0.6886 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 2.9984 -3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 2.1577 -4.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 4.1167 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5798 2.5752 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7139 5.2981 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 4.4474 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3481 4.2883 2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 2.6578 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 2.4427 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6287 3.1470 3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 5.0490 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0328 5.3799 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 3.9467 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 5.2698 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 2.3216 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 3.4834 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 2.8006 3.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 3.2018 2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 3.9447 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 3.0985 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 5.9100 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9605 5.0499 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 6.7000 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 5.8738 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 3.8378 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 4.5034 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 6.3685 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3641 5.4734 -3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3772 4.9509 -4.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 4.3108 -3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 3.2279 -4.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3752 2.5888 -2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 2.5060 -4.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 2.2202 -5.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.1545 -4.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -1.1400 -3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 0.0939 -4.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 -2.1218 -4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3983 -2.9523 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -3.6423 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 -3.8198 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7024 -4.5552 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8808 -3.3334 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4458 -4.4761 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 -2.9575 3.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2556 -1.6944 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 -2.8117 2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -3.5184 0.9520 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 1 0 28 29 1 0 29 30 2 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 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 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 37107 1 0 38108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 43113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 48118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END