HMDB0044585 RDKit 3D TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) 163162 0 0 0 0 0 0 0 0999 V2000 -2.3259 -4.8500 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 -5.4821 2.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -5.6567 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 -5.1229 4.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 -4.2574 4.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 -2.9649 5.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 -2.5265 6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -3.2503 7.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 -2.4144 7.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 -2.6295 7.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 -3.7988 6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -3.1647 6.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -3.2258 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -3.9226 3.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 -2.8361 2.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -2.7830 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 -3.7632 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 -4.2932 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 -4.8991 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 -5.3782 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -4.2891 -1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0345 -3.1718 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -3.0276 0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 -2.1529 -1.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.1119 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -1.1063 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 -0.9030 -2.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -1.6939 -3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.7768 -3.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 -1.3348 -4.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 -2.3304 -5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -2.6061 -5.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 -1.2794 -6.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -1.5137 -6.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -0.4489 -7.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 0.8100 -6.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 1.9629 -6.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 1.9541 -5.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 3.4143 -5.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 3.3892 -4.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 4.6432 -4.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 5.7738 -3.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 6.4282 -4.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 7.6588 -3.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 0.2426 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 0.3034 -1.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 1.4689 -1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 2.4260 -1.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 1.4511 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 1.2996 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 2.3166 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 2.6322 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 3.6686 2.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6267 4.1699 3.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 4.8735 2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 5.3345 3.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 4.2555 3.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 3.3274 2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 2.2499 3.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 1.2182 2.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4821 1.5649 1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3009 2.5617 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2182 2.2453 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4172 -3.7533 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 -5.2941 1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -4.9743 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -6.5480 1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3473 -5.0778 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -6.3063 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 -5.2886 5.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 -4.0006 3.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 -4.7245 5.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4636 -2.3880 4.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 -1.5299 6.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -4.2422 7.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -3.4697 8.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -1.4592 8.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 -1.8754 8.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 -4.3614 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 -4.3544 7.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -2.5729 6.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3269 -2.6783 4.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.4397 4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 -4.7065 3.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -2.0427 3.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -1.9474 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1344 -3.2992 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -4.6252 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -3.4093 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -4.9789 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6903 -4.2949 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4826 -5.8634 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 -6.2190 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -5.8173 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -3.9454 -2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -4.7718 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 -1.2411 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 -2.1386 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 -0.4185 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -1.2031 -4.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 -0.3240 -4.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0169 -3.2888 -5.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0063 -1.9694 -6.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -3.0109 -5.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 -3.3290 -6.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -0.8315 -7.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 -0.6708 -5.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 -2.4410 -7.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 -1.9716 -5.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 -0.9524 -7.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -0.2579 -8.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.5791 -5.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 1.2343 -7.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 2.8802 -6.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 2.3075 -7.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 1.4604 -6.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 1.4932 -4.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 4.0691 -5.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 3.6934 -6.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 2.9777 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1385 2.5624 -4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 4.3738 -3.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 5.0029 -5.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 6.6073 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1516 5.4948 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 6.7423 -5.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 5.7835 -4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 7.3149 -2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 8.0662 -3.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 8.4309 -3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 0.3866 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2132 1.0246 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 2.3783 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 0.6189 -2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 0.3016 0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 1.0425 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 1.9744 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 3.2887 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 1.6840 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 2.9900 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 4.5304 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 3.2298 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 3.2884 3.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 4.8372 3.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 5.7976 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6857 4.3098 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 5.9705 2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 6.0445 3.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 3.6672 4.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 4.6664 4.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5906 3.9885 2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 2.9497 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 2.7258 4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 1.7392 4.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 0.3451 3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5929 0.6753 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 1.8965 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 0.6025 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3144 2.4838 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2845 3.6167 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9692 3.1649 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 1.9339 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 1.4297 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 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 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END