HMDB0007727 RDKit 3D DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 -14.8722 -4.0431 -1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4245 -3.0108 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4121 -1.6006 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9445 -0.6833 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8677 0.7776 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9615 0.9938 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9100 1.7479 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5045 2.4795 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4621 3.9335 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4525 4.6945 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1323 4.2592 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7852 5.0315 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5331 4.6616 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4972 3.3249 3.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8195 2.1651 2.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 1.1976 2.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5803 1.2046 2.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4489 -0.0088 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5468 -0.9157 3.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5274 -0.8902 2.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 -2.1156 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 -2.0544 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 -2.7890 0.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6709 -1.2123 -0.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 -1.1129 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 -0.6267 -0.9323 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6471 0.7452 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 1.1292 0.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.5284 -1.8498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 -1.2694 -1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 -2.0056 -0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -1.1953 -2.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 -1.9809 -2.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 -1.4079 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -2.1156 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1019 -2.0907 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 -2.8198 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2835 -2.2632 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6048 -0.8287 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8803 -0.6829 -0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 -0.0129 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8886 0.6197 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7296 0.1833 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5636 -0.7812 2.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9647 -1.7877 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4373 -1.7664 1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 -1.5274 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5434 -1.2166 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0456 0.1412 -1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6960 1.2702 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3006 2.5384 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6702 2.6997 -2.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4167 -3.5493 -2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5735 -4.7788 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9726 -4.5299 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1087 -2.9834 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4114 -3.2030 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4446 -1.3576 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7295 -1.6178 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6587 -0.6952 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9621 -1.0009 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6758 1.3445 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9389 1.0030 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1992 0.4793 -2.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2734 1.8647 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4319 2.1275 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1429 2.2761 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3838 4.3984 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4949 5.7992 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9251 3.2093 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3964 4.6514 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7362 6.1689 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2864 5.5100 3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5344 3.2077 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2613 3.3127 4.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8814 2.0778 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3260 0.3745 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2461 2.1237 3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9338 1.1088 1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1808 -0.1277 4.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5524 -1.7978 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 0.0182 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 -1.0953 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7007 -3.0042 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -2.0158 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3709 -2.1121 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 -0.4384 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -1.3108 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 1.4710 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 0.5510 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 1.5125 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.1042 -2.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7815 -1.5426 -3.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0368 -1.9447 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 -3.0293 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8828 -1.3533 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -0.3339 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 -3.1742 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -1.6115 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 -2.7438 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -1.1314 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 -3.9135 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 -2.8934 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 -0.3614 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -0.2629 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9643 -1.1259 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7661 0.0630 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 0.8861 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 1.7284 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6270 0.8058 3.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0995 -0.9085 3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 -1.7810 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7730 -2.7951 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9978 -1.9836 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2314 -1.5604 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4791 -1.3753 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0303 -1.9494 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1470 0.0975 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6003 0.3831 -2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0925 1.1216 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6272 1.4771 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3781 2.3206 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1401 3.4176 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3039 2.1896 -3.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 2.2057 -2.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5211 3.7569 -3.1839 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END