HMDB0298724 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/0:0/i-14:0) 107107 0 0 0 0 0 0 0 0999 V2000 -14.7889 -1.2373 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8397 -0.0595 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3830 -0.0948 -1.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4557 1.0126 -2.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2094 0.9645 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4531 -0.2784 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2137 -0.3619 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4401 0.8112 -2.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1865 0.9980 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 1.1654 -0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8079 -0.0657 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -0.2563 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 0.9404 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 1.0833 1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9552 0.1213 2.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 -1.2070 2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8621 -2.3382 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 -2.5368 2.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -3.3165 1.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -2.6949 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.4137 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -0.2929 0.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -1.4424 0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 -0.2225 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 -0.6588 0.6544 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9997 -1.3954 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 0.5435 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 1.5002 0.0225 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 1.3126 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 0.1819 -1.4382 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 2.3786 -2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 3.1743 -2.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9247 3.9849 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 3.4972 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3315 2.5924 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 1.2438 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 0.5974 0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -0.7939 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0558 -1.4980 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3133 -0.7675 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4850 -1.5835 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8048 -0.9059 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 -2.9431 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2560 -1.9577 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7214 -0.8342 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0573 -1.6863 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3913 0.8961 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0263 -0.0931 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2331 -0.1042 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8336 -1.0539 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2643 0.9117 -3.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9099 2.0214 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5308 1.0201 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5989 1.8950 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9129 -1.2520 -1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6960 -1.3367 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0443 0.5810 -3.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9371 1.7585 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 1.6389 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4459 -0.9477 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0932 -1.2266 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 -0.3208 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 1.8669 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 2.1160 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 0.0327 2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 0.5799 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6283 -1.2793 2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 -3.2487 2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -1.6250 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 -3.0970 3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -4.2922 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -3.6144 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 -2.5221 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 -3.3951 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 0.3126 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 0.4109 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 -1.3666 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 -2.3362 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 1.0059 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 0.1404 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 3.0546 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 1.8899 -3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 3.9350 -3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 2.5174 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 4.7918 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7837 4.7050 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 3.1629 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 4.4676 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3285 2.4365 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 3.0926 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 0.6170 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 1.1592 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 0.5201 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5334 1.2448 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 -0.6888 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 -1.3593 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -1.7189 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0739 -2.4927 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3481 0.1965 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4216 -0.6162 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4221 -1.7415 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7704 -0.3347 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0399 -0.1847 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5779 -1.7014 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -2.7768 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5582 -3.2901 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8516 -3.6740 0.4641 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 1 0 10 11 1 0 11 12 1 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 25 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 41 43 1 0 11 9 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 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 1 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 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 40100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END