HMDB0299891 RDKit 3D DG(i-19:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -15.6398 -1.5485 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5877 -0.9074 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7631 -1.6882 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4806 -1.3039 -2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9037 0.0146 -2.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7174 -0.1490 -3.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5294 0.2779 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8387 1.0939 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4319 1.6158 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8029 0.6012 -0.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4540 2.5441 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2700 2.0692 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3595 2.9771 0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 2.6529 0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6682 1.2688 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4262 1.3584 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2569 0.9430 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0391 0.3506 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0062 1.1774 2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6898 1.2010 1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 -0.1607 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 -1.2020 2.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -0.3912 0.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -1.6860 0.8421 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1774 -2.1196 -0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -3.3842 -0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 -1.7223 1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -0.7963 0.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.6363 1.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 -1.3570 2.5139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 0.3149 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -0.3820 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 -1.3421 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 -0.6901 1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 0.3443 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 -0.2569 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6249 0.8577 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6977 0.2807 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5085 -0.7820 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2293 -0.2857 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0197 -1.3218 1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0895 -2.0925 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3561 -1.6049 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6262 -0.7826 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0482 0.5694 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6178 1.2701 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1043 1.3596 -1.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1155 0.4976 -3.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2201 -0.8048 1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1754 -2.3450 1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7881 -2.0451 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3276 0.1391 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6017 -0.8425 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1923 -2.7284 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6926 -2.0433 -3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9273 0.6683 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7085 0.4228 -3.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9355 -0.8202 -4.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8032 -0.0773 -4.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2913 1.9625 -3.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8931 0.5026 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3397 2.2152 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0414 -0.0301 -0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7325 3.5611 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0921 1.0374 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6894 4.0251 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5255 3.4119 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6067 0.7177 1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3587 0.6396 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5272 1.8019 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4208 1.0693 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 0.3797 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 -0.7223 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 2.1635 2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 0.6644 3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 1.6987 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 1.7790 2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 -2.3916 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -2.0784 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5046 -1.4200 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 -3.9708 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -2.7670 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 -1.5159 2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 0.9849 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 0.9977 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 -0.9836 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 0.3414 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 -1.9406 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -2.0991 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 -0.1711 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 -1.4783 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 0.7220 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 1.1867 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2649 -0.6778 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -1.0712 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0364 1.4065 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0977 1.6186 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 1.0874 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 -0.2107 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 -1.1312 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -1.6865 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6654 0.7001 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3973 -0.0232 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2950 -2.0341 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4925 -0.7910 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6479 -2.8958 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3998 -2.8580 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8996 -1.1416 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0870 -2.5337 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3471 -1.3230 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7625 -0.6768 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2905 1.1921 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9492 0.5556 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1443 2.2556 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4485 2.2350 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4816 1.5222 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5791 0.4265 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0518 0.2113 -2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0891 1.1360 -3.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 -0.3696 -3.2063 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 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 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 1 25 79 1 0 25 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END