HMDB0299514 RDKit 3D DG(i-17:0/0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 118117 0 0 0 0 0 0 0 0999 V2000 13.3001 4.3300 1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4443 3.2209 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 2.8740 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 1.6716 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2603 0.5586 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5639 -0.6240 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1481 -1.6469 0.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 -1.1752 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 -2.4386 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6773 -2.9063 -1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3484 -4.1649 -1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 -4.7182 -1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3275 -3.6252 -2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -3.1567 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -3.5568 -1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -4.6980 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 -4.7853 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 -3.7640 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -2.3742 1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 -1.6703 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -2.1830 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -2.0349 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 -0.5560 1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9471 0.0279 0.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 0.1453 2.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 1.5218 2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 1.8189 1.3776 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5492 3.1576 1.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 0.9735 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 1.1851 0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0513 2.3001 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 3.3056 0.8398 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 2.3650 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2455 1.6854 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 2.2116 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 3.5978 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4032 4.0039 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6741 3.1330 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4781 3.6511 -2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6950 2.9722 -2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7754 2.7769 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5388 1.8893 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1351 0.5310 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8533 -0.3981 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4504 -1.7236 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1136 -2.7831 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9467 -2.2697 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2403 -3.1662 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0034 4.1849 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5111 5.3243 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2294 4.3738 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 3.6748 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0443 2.4120 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6258 3.6795 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6858 1.5247 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 0.7413 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5039 0.1397 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2534 -0.3869 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 -1.5451 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -0.5034 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6049 -3.1273 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 -2.2143 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -4.8277 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3707 -5.4208 -2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5919 -5.2518 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 -3.1233 -3.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 -2.2738 -3.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -2.6439 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 -3.8668 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 -5.6807 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 -5.8263 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -4.0750 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 -3.8052 2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 -1.8101 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 -0.6074 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 -3.1626 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 -1.4719 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 -2.4777 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8784 -2.4169 2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.0881 2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 1.8676 3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 1.5735 0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 3.6306 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0092 1.2273 2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 -0.1075 1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 3.4314 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 1.9088 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 1.6491 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 0.6113 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 2.0309 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9743 1.5496 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1196 3.7803 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7162 4.3690 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8978 4.0196 -1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7656 5.0313 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2706 3.3991 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4820 2.0757 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6202 4.7621 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7396 3.6609 -3.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1541 3.6119 -3.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4696 2.0209 -3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7415 2.4837 -2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0594 3.7917 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5950 1.7145 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9432 2.2085 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0236 0.1438 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2356 0.5724 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7550 -0.4577 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9968 0.0454 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2610 -2.0741 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5784 -1.4896 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7330 -3.6928 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3391 -1.4433 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6218 -3.0989 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1231 -1.9626 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2576 -2.5729 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2008 -3.1543 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0570 -4.2306 1.7743 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 45 46 1 0 46 47 1 0 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 26 80 1 0 26 81 1 0 27 82 1 6 28 83 1 0 29 84 1 0 29 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 47113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 M END