HMDB0299710 RDKit 3D DG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/i-18:0) 121120 0 0 0 0 0 0 0 0999 V2000 -13.3754 3.0774 1.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3007 1.9717 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3501 1.2201 2.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6062 -0.0154 3.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9380 -1.0795 2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0720 -0.7058 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3285 -1.1452 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2097 -2.1047 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5382 -3.2768 -0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8646 -3.6365 -1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6601 -2.8996 -2.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8947 -2.5510 -3.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8926 -1.4201 -4.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 -0.0880 -3.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3897 0.1332 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2678 0.6295 -2.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1474 1.0220 -2.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 1.5131 -2.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 1.7468 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 1.9680 -0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7085 0.7729 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 0.9735 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 -0.0008 1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5616 -1.1311 1.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 0.4092 1.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 -0.4258 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 0.4071 1.4257 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3195 1.5107 2.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -0.4158 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 0.2946 1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 1.3685 1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 1.8491 2.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 2.0131 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 1.7248 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 0.3624 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -0.5436 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0011 -0.8859 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 -1.9035 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 -1.3510 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4740 -2.4056 1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9072 -2.1477 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4232 -1.9404 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9903 -0.8435 -1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1451 0.5489 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 0.9723 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 0.9207 -1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8530 1.3750 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4326 0.5202 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6649 2.7813 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5754 3.5009 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2989 2.6826 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9986 3.8816 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2426 1.4842 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3001 2.5939 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1291 1.8310 3.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5738 -0.3678 4.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2081 -1.9389 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9640 -1.5471 2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8893 -0.0124 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5638 -0.7599 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2672 -1.6129 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0766 -2.4697 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4305 -3.8534 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1531 -4.5481 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8537 -3.7272 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2417 -2.1690 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1165 -3.4951 -4.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1190 -1.4852 -5.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8314 0.3752 -4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5331 0.6034 -4.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2227 -0.0755 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2819 0.6983 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1892 0.9113 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 1.7696 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1774 2.7488 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 2.9134 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 0.8903 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0495 -0.2537 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 1.9879 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 0.7744 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 -0.7245 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -1.3332 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 0.7359 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 2.3322 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 -0.8920 2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.2594 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 3.1395 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 2.0112 1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 2.2139 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 2.3129 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0148 0.4751 -1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -0.2188 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -1.5178 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 -0.1477 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -0.0258 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -1.4031 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8941 -2.8360 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1253 -1.9994 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4514 -1.2958 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7194 -0.4227 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 -3.3924 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 -2.6694 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1896 -1.3083 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 -3.0930 1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -1.9909 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 -2.9062 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 -0.9610 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6943 -0.9022 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 0.7239 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7536 1.2396 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4899 2.0327 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 0.4054 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 -0.1540 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1574 1.5233 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5402 1.4658 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0296 0.7758 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5416 0.7096 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3215 -0.5541 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5841 3.3701 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4207 2.7768 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8253 3.2642 -0.9504 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 2 0 18 19 1 0 19 20 1 0 19 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 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 6 28 84 1 0 29 85 1 0 29 86 1 0 33 87 1 0 33 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 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END