HMDB0297223 RDKit 3D DG(8:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0) 91 90 0 0 0 0 0 0 0 0999 V2000 14.5989 -0.1610 2.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2678 0.6115 2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2144 -0.3663 2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2873 -0.6869 1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1935 -0.1050 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2862 -1.1074 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -1.3373 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 -0.5949 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0373 0.1007 -2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 0.9718 -2.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 0.8219 -3.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 0.4923 -2.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 1.3069 -2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 1.0660 -2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -0.0301 -1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 0.4915 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 0.1457 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 -0.7642 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 -0.0761 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 -0.5079 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -1.7349 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -1.4966 1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 -0.9361 1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -0.6582 2.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 -0.6918 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1797 -0.1416 0.4854 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0494 1.2149 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0885 1.9637 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0665 -1.0619 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3615 -0.6919 -0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9228 0.2372 -1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2528 0.9297 -2.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4095 0.4861 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0393 -0.5028 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5282 -0.3621 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9431 0.9833 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4381 1.1078 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0489 0.0896 1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5279 0.1994 2.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7486 -0.8261 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5363 -0.8180 3.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4319 0.5408 2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3098 1.0642 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3297 1.4174 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2515 -0.8261 3.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5250 -1.4297 2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 0.6773 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2215 0.4744 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 -1.7255 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 -2.1160 -2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 0.0179 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 -1.4233 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 -0.6750 -3.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2488 1.0875 -3.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 1.6717 -3.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6451 -0.3546 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6048 2.1493 -3.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 1.7402 -2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -0.5014 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -0.8573 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 1.1750 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.5348 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -1.1278 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -1.6490 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 0.8251 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 0.0630 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 -2.4330 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -2.3442 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -2.4310 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2065 -0.7205 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5037 -0.0097 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 1.1737 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 1.8052 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 2.8906 0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0702 -2.0986 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 -1.1842 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8467 0.4593 -2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5330 1.5190 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7790 -1.5412 -0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6134 -0.3199 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0437 -0.5339 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8641 -1.1253 0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6124 1.7446 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4387 1.2518 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6731 2.1281 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8722 1.0048 -0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8542 -0.9245 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1550 0.2347 1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7780 0.9860 2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3952 0.4488 3.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1692 -0.7961 3.2058 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 2 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 26 29 1 0 29 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 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 26 71 1 1 27 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 39 91 1 0 M END