HMDB0296194 RDKit 3D DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0/19:0) 125124 0 0 0 0 0 0 0 0999 V2000 -16.1490 -2.0959 -3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6196 -1.5029 -1.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9061 -0.2476 -1.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1289 -0.0378 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8597 -1.0140 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3373 -0.4246 1.7334 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.0950 -1.2965 2.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7064 0.8849 1.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4949 1.2340 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0445 2.5928 1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8459 2.9902 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8830 2.1404 0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6713 2.6039 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6933 1.7380 -0.0894 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2610 0.9525 -1.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6135 2.6041 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6483 1.7417 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 1.6859 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 2.4368 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9635 1.8180 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 0.5675 1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5413 -0.5256 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 -1.5278 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -0.8466 -0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -0.9188 -2.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5188 -0.2128 -0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 0.4368 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1315 -0.6030 -2.1441 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1158 0.0885 -2.7844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -1.7845 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -1.5304 -0.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -1.0010 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -0.6754 -1.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 -0.8480 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.1283 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -2.8477 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 -2.5417 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 -1.3572 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 -0.0693 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5910 1.0427 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 0.7137 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7557 0.5002 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 0.2135 1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9809 -0.0173 2.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4307 -0.1742 2.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9952 -1.2420 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8426 -1.1939 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4518 0.0934 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2468 0.0616 -2.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8588 1.3526 -2.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3229 1.3197 -2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4760 -2.9473 -3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7020 -1.3170 -3.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0605 -2.4445 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7185 -1.2462 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4951 -2.2536 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0024 0.5852 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6190 0.9607 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7326 -1.1326 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2357 -2.0278 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4629 -0.3200 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5679 -1.0015 3.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3258 1.6322 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8866 0.5146 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7280 3.2783 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5856 4.0099 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0609 1.1217 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4417 3.6342 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1886 1.0392 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1888 -0.0276 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2252 3.3046 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1399 3.1984 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0317 1.0894 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 0.9773 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 3.1489 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 3.2297 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 2.5232 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 0.3063 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 -1.1700 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4128 -0.3689 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -2.3747 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 -1.9602 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0024 1.2094 -1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 0.9002 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -0.9421 -2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7773 0.9010 -3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -2.1953 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -2.6243 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 0.0557 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -0.5989 1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -2.8367 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 -1.9935 2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.1319 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 -3.9434 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7702 -2.7905 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 -3.4662 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 -1.1698 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0236 -1.6075 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 0.3203 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4494 -0.1989 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 1.1065 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4456 2.0124 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 -0.1495 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5134 1.6226 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4577 -0.4233 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8049 1.3943 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1915 -0.7869 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6551 1.0227 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5786 -1.0096 2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 0.7738 3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9028 -0.2047 3.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8457 0.8289 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5922 -2.2760 1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1129 -1.3891 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8842 -1.3731 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5102 -2.0595 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 0.9779 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5307 0.1788 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8674 -0.7600 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1817 -0.0169 -2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7295 1.4127 -3.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3062 2.1910 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7042 0.2821 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4440 1.7691 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9137 1.8779 -3.0627 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 1 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 27 84 1 0 28 85 1 6 29 86 1 0 30 87 1 0 30 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M END