HMDB0294491 RDKit 3D DG(10:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 98 97 0 0 0 0 0 0 0 0999 V2000 -12.9947 -0.3467 2.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0600 0.7506 2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1441 1.1180 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8193 -0.0004 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3938 -0.4512 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9514 -1.5249 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9779 -1.4487 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1101 -0.3404 -1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2268 0.9455 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3815 1.5711 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 1.2052 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 -0.0622 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 -0.2209 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 0.8334 -1.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 0.8423 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 1.0483 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.8881 -1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 1.5498 -2.9877 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 2.4652 -1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.5984 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 0.5702 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -0.1741 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 0.1557 -0.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -1.1499 1.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.9799 1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -3.0859 0.5485 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9659 -3.7660 1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -2.6300 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -1.7159 -0.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 -1.2137 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 -1.5995 -2.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 -0.2468 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5077 -0.7076 -2.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0058 -1.9953 -1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -2.1235 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 -1.2778 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0263 0.1866 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 0.8919 1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8307 2.3949 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8856 3.1415 2.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9613 0.0743 3.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2494 -1.0537 2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5106 -0.8838 3.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9845 0.4983 2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2419 1.6775 3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0978 1.6293 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3462 1.9026 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5019 -0.8567 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9484 0.3836 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5556 -1.0067 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7098 0.3175 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5096 -2.5184 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7766 -2.3989 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1989 -0.1527 -2.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -0.6730 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1904 1.5028 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7352 2.5864 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 1.3098 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 2.0135 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9141 -1.0006 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -1.2585 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 1.8411 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 0.5335 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -0.1500 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 0.6956 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 2.7901 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8859 0.6485 -3.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 3.3665 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 3.0165 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 1.0763 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 2.2231 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.0784 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 -0.2144 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -2.4666 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -1.3811 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 -3.8851 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6468 -4.5384 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6925 -2.1683 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 -3.5462 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3342 -0.0110 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 0.6933 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1409 -0.9894 -3.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2447 0.0479 -2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3173 -2.8250 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9558 -2.2347 -2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 -3.2195 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -2.0724 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 -1.5346 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 -1.6278 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 0.6558 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 0.3790 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1324 0.7006 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1290 0.5854 2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8519 2.5710 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8161 2.7175 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7907 2.5230 2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1449 4.1314 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 3.4022 3.2048 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 1 0 15 17 1 0 17 18 1 0 17 19 1 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 26 28 1 0 28 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 1 0 38 39 1 0 39 40 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 21 73 1 0 25 74 1 0 25 75 1 0 26 76 1 6 27 77 1 0 28 78 1 0 28 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 M END