HMDB0299103 RDKit 3D DG(i-15:0/0:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 113112 0 0 0 0 0 0 0 0999 V2000 -16.9939 4.0078 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2987 2.6790 1.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8296 2.8322 1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0882 2.1860 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5616 1.2537 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9671 -0.1674 -0.1974 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.5337 -0.9071 -1.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5447 -0.1449 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5206 -0.8893 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1463 -2.2128 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8775 -2.6220 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7916 -1.7013 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5335 -2.1994 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4116 -1.2811 -0.2910 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7085 -0.2809 -1.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1738 -0.5613 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 -1.5744 2.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7486 -1.5506 2.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 -0.6065 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 -1.3299 2.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7007 -1.0677 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 -0.0230 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 1.0228 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 0.3661 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 0.4245 -1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -0.3144 0.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 -1.0117 0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -2.2550 -0.1045 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6863 -2.7419 0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 -1.9007 -1.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -0.8842 -1.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 -0.2866 -2.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -0.6630 -3.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 0.8117 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 0.3992 -1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 -0.8972 -2.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5523 -1.5050 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 -0.5605 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3995 -0.1727 -2.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5716 0.7203 -2.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8039 0.2339 -1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7832 -0.3307 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1695 -0.6654 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1187 0.4419 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8572 1.4966 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0148 2.5297 1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6031 2.2732 1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2976 4.6814 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2936 4.5241 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9352 3.7979 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7166 1.8494 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5871 2.4370 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3683 3.5386 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9955 2.3717 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6210 1.0880 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2414 1.6192 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3495 -0.4706 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9196 -0.8507 -2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1576 0.9073 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5957 -0.2058 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8521 -3.0245 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7142 -3.6667 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8842 -0.6637 -0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -3.2349 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -1.7818 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2438 0.4329 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 0.1246 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1033 -0.0214 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5974 -2.3765 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 -2.3545 3.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4439 -0.2722 3.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.3270 2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0903 -2.1337 3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.6826 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 0.3958 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -0.5149 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 1.4500 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 1.8269 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -1.2556 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -0.2995 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -3.0723 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 -2.6741 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 -2.8209 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6184 -1.8373 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 0.8108 -3.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 1.7810 -2.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 0.2273 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6995 1.2142 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0312 -0.7474 -3.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 -1.6199 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 -2.4961 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 -1.7541 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 0.3946 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2886 -0.8952 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7620 -1.0754 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 0.3027 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8103 1.2439 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2008 1.5984 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2577 -0.5366 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5879 1.0629 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3373 -1.3848 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2142 0.1517 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9829 -1.0986 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5947 -1.4479 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3756 0.9397 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1218 -0.0273 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 1.0386 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2795 2.6598 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8456 2.1513 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6492 3.4633 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1882 2.3018 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7837 3.3420 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7921 1.8715 2.0466 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 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 6 15 66 1 0 16 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 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 27 79 1 0 27 80 1 0 28 81 1 6 29 82 1 0 30 83 1 0 30 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 47113 1 0 M END