HMDB0297356 RDKit 3D DG(20:3(8Z,11Z,14Z)-2OH(5,6)/a-13:0/0:0) 107106 0 0 0 0 0 0 0 0999 V2000 13.4013 2.8746 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 3.3997 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4254 2.4354 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2674 1.1109 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6448 0.0698 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 0.4598 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 -0.2053 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -1.4299 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7066 -2.6464 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 -2.8939 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -2.0137 -2.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 -2.0741 -2.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 -1.1290 -2.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 0.2502 -2.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 0.8017 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 2.1259 -1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 0.0389 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -0.1775 0.5711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -1.2026 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -0.9261 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -0.0274 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.5169 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -0.8063 1.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 -0.7067 0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -1.1703 2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 -1.2803 2.0357 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3251 -2.3358 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 -2.6618 0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 -0.1231 1.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 0.5173 2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 -0.0547 3.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3361 1.7624 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 1.8549 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2357 0.9744 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9861 -0.4758 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0675 -1.4437 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 -1.5337 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6928 -0.3539 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6482 -0.0348 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5717 1.1062 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3935 1.1589 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4985 1.1473 -1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9067 1.1794 -2.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 3.7498 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 2.3184 3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7834 2.2110 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0955 4.4158 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 3.4493 2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0481 2.3411 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 2.8778 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5979 1.2529 2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2592 0.7862 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 -0.9486 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3102 0.0903 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 1.3918 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 0.2928 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4257 -1.2866 1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -1.6780 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6752 -3.5935 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0966 -3.9772 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 -1.0061 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9853 -2.3627 -2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 -3.1112 -3.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 -1.4381 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2794 0.4618 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0803 0.8703 -3.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 0.9756 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 2.2280 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 0.7511 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 -1.1438 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -1.6718 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -1.9750 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -1.9123 -1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 -0.5547 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 1.0229 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 0.0661 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.2043 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 -0.5898 3.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.6821 3.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 -3.2312 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 -1.9116 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7995 -3.1702 0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0654 2.0622 2.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6184 2.6409 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4062 2.9085 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3545 1.6806 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6258 1.3289 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0899 1.2479 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4886 -0.7552 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 -0.6886 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6442 -2.5033 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7807 -1.3681 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4945 -2.4846 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1152 -1.6537 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3424 -0.7603 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0834 0.4472 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0599 0.0745 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2228 -1.0024 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0019 2.0834 -0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6892 0.9001 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2105 0.3902 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8095 2.1691 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3205 0.3747 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0851 2.1192 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4380 1.9503 -3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8427 1.4556 -2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9889 0.2351 -3.3794 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 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 25 77 1 0 25 78 1 0 26 79 1 1 27 80 1 0 27 81 1 0 28 82 1 0 32 83 1 0 32 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 41100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END