HMDB0295956 RDKit 3D DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:0/0:0) 119118 0 0 0 0 0 0 0 0999 V2000 15.8007 -2.2670 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5325 -2.2703 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5437 -1.0656 -2.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5411 -1.1068 -3.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5267 -2.3156 -4.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3660 -2.3894 -5.3297 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4467 -3.5963 -6.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0353 -2.3274 -4.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -1.4311 -3.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -1.5179 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6714 -0.6233 -2.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 -0.6865 -2.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7498 0.1465 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5014 1.2494 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0399 2.1461 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6211 2.1328 0.5876 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2389 0.8489 0.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 2.9615 -0.2767 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5625 2.3430 -1.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 3.6609 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 2.9650 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 2.1707 1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 1.6287 2.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 1.1046 3.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.7424 1.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 1.3527 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -0.1615 1.3865 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4050 -0.9210 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -0.6959 0.5388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 -0.4258 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -0.8596 2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2677 -1.0693 3.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0397 -1.0728 1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5359 0.3013 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9012 0.4148 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0148 -0.0787 1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8976 0.6812 3.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8716 0.6051 4.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2966 -0.7168 4.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1928 -1.5244 3.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5869 -1.0804 3.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0075 0.2376 3.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5722 0.7988 1.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9049 0.0044 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4005 -0.1217 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7722 -0.9249 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2348 -0.3035 -1.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6589 -1.1574 -3.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1480 -1.2560 -3.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9551 -3.2489 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7628 -1.4330 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6819 -2.0519 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 -2.1777 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4368 -3.2250 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5518 -0.0645 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5516 -0.1512 -4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4562 -2.2442 -5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6803 -3.2689 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4902 -1.5416 -6.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1990 -3.4400 -7.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3256 -3.1232 -5.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 -0.6137 -3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5079 -2.3104 -3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3501 0.1652 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -1.5248 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 -0.0216 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5434 1.3792 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 2.9619 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6769 2.6556 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 0.4828 1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 3.8318 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 1.7041 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 4.3602 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8941 4.5004 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 2.2593 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5484 3.7135 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 2.7818 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0615 1.2497 1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 1.8155 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 1.6599 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.4145 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 -0.5414 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2005 -1.9972 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 -1.5754 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 -1.5226 2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 -1.7119 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 0.6471 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2996 1.0488 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 -0.1112 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1325 1.4793 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -1.1732 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9183 -0.0380 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 0.5502 3.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8569 1.7866 2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7251 1.2807 4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3161 1.0829 5.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4505 -1.3356 5.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9132 -0.5214 5.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7394 -1.7825 2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2502 -2.5607 4.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1409 -1.8477 2.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1708 -1.2699 4.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9534 1.0425 3.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1711 0.1667 3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5716 1.2918 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2479 1.7533 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4521 0.5144 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4402 -1.0090 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8715 -0.6152 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8900 0.8679 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4921 -1.9865 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8848 -0.8687 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6465 0.7193 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1228 -0.1930 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2474 -0.7310 -4.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2893 -2.2172 -3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3465 -1.4664 -4.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5837 -2.1110 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6684 -0.2977 -3.0977 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 28 29 1 0 27 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 48 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 6 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 16 69 1 1 17 70 1 0 18 71 1 6 19 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 26 79 1 0 26 80 1 0 27 81 1 1 28 82 1 0 28 83 1 0 29 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END