HMDB0297191 RDKit 3D DG(8:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0) 87 86 0 0 0 0 0 0 0 0999 V2000 -6.8590 -3.4626 1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2319 -3.2117 2.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3082 -3.4542 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1906 -2.5878 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2351 -1.1979 1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0570 -0.2196 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0955 0.6669 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 0.7827 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6708 0.5290 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7259 0.6536 1.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4146 1.6317 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 1.9389 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 3.0311 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 3.4082 -2.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 2.6547 -1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7064 3.5702 -1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 3.7933 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 3.2684 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 2.1749 -3.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 0.7795 -2.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 0.3467 -2.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 -0.6950 -1.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 1.0904 -2.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 0.6763 -1.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7485 0.4037 -2.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 -0.6059 -3.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 1.7417 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4353 1.3182 -0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 0.2288 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 -0.4396 0.8494 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7864 -0.1893 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5433 -1.4105 2.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7838 -1.9145 2.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8089 -2.2625 1.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 -2.7821 2.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -1.7564 3.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0762 -0.4736 2.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3945 -4.3521 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1989 -2.5698 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 -3.6695 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4045 -3.9037 2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2819 -2.2080 2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3813 -4.4802 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9635 -2.8841 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3216 -0.9676 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6364 -1.0121 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8077 -0.2340 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0591 1.3536 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0919 0.0748 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0604 1.8490 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6548 -0.4666 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 0.8898 2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2374 2.2070 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 1.3126 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 3.5888 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 4.2183 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 2.1217 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9253 1.8963 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 4.1339 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 4.5742 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 4.1495 -3.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 2.9732 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 2.1080 -4.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 2.3438 -4.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 0.5464 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 0.1151 -3.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.2377 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 0.0130 -2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 1.2944 -3.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -1.4814 -3.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 1.8910 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 2.7037 -1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1496 0.6746 1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 -0.4171 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.3054 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2427 -2.2322 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -2.8445 3.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1227 -1.1412 3.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0611 -1.4815 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 -3.1246 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7662 -3.0674 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8587 -3.6740 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0684 -1.6277 4.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6790 -2.2153 3.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 -0.5324 1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -0.1117 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 0.3164 3.3324 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 24 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 1 25 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 31 73 1 0 31 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 37 87 1 0 M END