HMDB0297285 RDKit 3D DG(a-13:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 104103 0 0 0 0 0 0 0 0999 V2000 -16.9905 0.2321 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9654 1.2751 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8548 0.6078 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1361 -0.4300 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0489 -1.0156 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2658 -2.0459 0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9718 -2.0042 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1403 -0.8406 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0862 -1.2329 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8181 -1.0083 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -0.3453 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 -1.2402 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2745 -0.9032 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 0.3341 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 0.5847 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 1.8702 -0.6157 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7830 2.7556 -0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 1.8358 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 1.1872 1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 1.2149 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4492 0.5157 1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 -0.7119 2.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 1.2420 1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 0.7942 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 -0.2885 -0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8944 -1.5040 0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 -0.3419 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -0.8447 -1.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 -0.4589 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5184 0.6036 0.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -1.2472 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 -0.7178 -1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 0.7235 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 1.4561 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 1.3746 -2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3516 0.2492 -2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6710 -0.8907 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4718 -0.7258 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 0.0737 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 -0.4864 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0524 0.1622 1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4573 -1.1805 2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8945 -0.6724 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7914 0.0206 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0237 0.6264 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4900 1.7520 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4073 2.0354 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2952 0.1093 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1531 1.4035 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7260 0.0345 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8679 -1.2011 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6756 -1.5122 2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4763 -0.2720 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8011 -2.9482 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5028 -2.8347 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7582 -0.0250 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6631 -0.4250 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3356 -1.7375 2.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0445 -1.3230 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6637 0.4795 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0633 0.2153 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -2.2215 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -1.6416 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1297 1.1073 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.1860 -1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 2.3504 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 2.9816 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 2.8934 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 1.3564 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 0.1190 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7422 1.6813 2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 0.8088 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 2.2992 2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 0.4551 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 1.6547 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 0.0747 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -2.1672 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -0.9820 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 0.6742 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 -2.3145 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3766 -1.0184 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 -1.4146 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2715 -0.7630 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 0.8925 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2015 1.2961 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6343 1.3935 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 2.6167 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0600 2.0810 -1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7325 2.1255 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4012 0.6410 -2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -0.1671 -3.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8033 -1.5401 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2896 -1.6501 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 -0.3313 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7114 -1.7690 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7877 1.1601 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 -1.2644 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0866 0.3617 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1448 -0.9511 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7117 0.8533 2.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9486 0.6228 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1672 -0.9822 3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0433 -1.7081 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6526 -1.7803 2.7120 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 2 0 15 16 1 0 16 17 1 0 16 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 39 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 16 66 1 6 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END