HMDB0294786 RDKit 3D DG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/12:0/0:0) 103103 0 0 0 0 0 0 0 0999 V2000 -15.9866 1.9051 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8046 0.9809 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6227 1.3802 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4622 1.7119 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1196 1.7444 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9473 0.8059 -0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7507 1.0981 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4246 0.0026 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8044 -1.3917 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7003 -1.1507 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4225 -1.3734 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8698 -1.9635 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 -3.2100 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8456 -3.2653 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -2.1612 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 -1.7762 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -0.5696 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 0.5106 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 1.7797 0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 2.2815 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 1.5639 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 2.3584 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 1.7313 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 2.3053 0.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 0.4732 -0.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.0819 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 0.7493 -2.0240 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7044 0.5238 -3.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 1.2690 -4.3715 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 0.3320 -2.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.3338 -1.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 2.5202 -1.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 1.1282 -2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 -0.3044 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 -1.0613 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 -0.4329 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1588 -0.3868 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -1.7631 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2698 -1.6682 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8519 -1.0067 1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 -0.9489 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0289 -0.2878 2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5260 -0.2684 2.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5880 2.9547 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7179 1.8258 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4267 1.6792 2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1668 -0.0507 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6171 0.9638 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7323 1.4021 2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6710 1.9904 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9354 1.4223 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8495 2.7953 -0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7742 0.5075 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9273 0.1324 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6175 -1.8138 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6654 -1.9417 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9890 -0.7055 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 -1.1139 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7721 -2.3529 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -1.2739 1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6937 -4.0455 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 -4.1909 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5398 -1.2790 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 -2.6078 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -2.4942 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2436 -0.4356 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9497 0.1540 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 0.7869 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 2.5111 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 3.3317 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 1.6338 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 0.5333 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 3.4056 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 2.4143 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -0.1045 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 -1.1106 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 1.8152 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 0.7572 -3.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.5606 -3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 2.2145 -4.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4807 1.6036 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6386 1.6925 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -0.8062 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -0.3660 -2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9936 -1.0175 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 -2.1027 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 -1.1224 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1816 0.5307 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5011 0.0744 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 0.2186 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 -2.2625 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 -2.4158 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5747 -1.1074 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6834 -2.6877 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4979 0.0453 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -1.5582 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7665 -1.9703 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6301 -0.3871 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 0.7627 2.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8191 -0.8392 3.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9351 -1.1769 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9670 0.6534 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6948 -0.3284 1.1093 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 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 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 28 29 1 0 27 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 8 6 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 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 0 26 76 1 0 27 77 1 1 28 78 1 0 28 79 1 0 29 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 M END