HMDB0112866 RDKit 3D PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -8.3787 0.4120 -7.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2643 -0.0441 -6.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6788 1.1251 -5.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 1.5242 -5.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 0.7559 -6.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 1.6920 -7.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 2.0531 -7.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5698 1.5668 -6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 0.9759 -7.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -0.1952 -7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2756 -1.3794 -6.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -1.3653 -5.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 -1.5023 -4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -1.6866 -3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 -2.9787 -3.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -3.0858 -1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -1.9231 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -1.9211 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 -1.9943 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -2.0877 1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 -0.8340 2.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -0.7131 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3524 0.4187 4.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -1.6811 3.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -1.4502 4.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -1.2368 6.1444 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2435 -2.5537 6.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 -2.7590 6.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -4.2039 6.6215 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9484 -5.3241 5.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -4.5367 8.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3308 -4.1498 6.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -5.3695 5.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 -5.3978 5.4508 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0520 -5.1727 6.6024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -6.7386 4.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3798 -7.4622 5.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 -7.2570 3.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 -0.1612 6.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 0.8974 7.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 0.7962 7.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 2.0789 7.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 2.1641 7.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 2.1440 6.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7946 3.2215 5.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 3.6069 4.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4365 3.5330 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5334 3.0283 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 4.0872 1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 4.0042 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 2.7876 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4617 2.1823 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 1.9966 -2.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 2.3702 -3.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 3.3944 -4.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 4.6282 -3.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 5.6126 -4.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5437 6.8242 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3715 0.2667 -6.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2123 1.5005 -7.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 -0.1542 -7.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7995 -0.6290 -5.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6243 -0.7603 -6.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3855 1.7293 -4.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 2.4034 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 0.4572 -5.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -0.0793 -6.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 2.1144 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 2.7723 -8.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 0.9453 -5.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 2.5238 -6.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.7173 -8.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 -0.3067 -8.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6169 -2.2024 -7.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -1.8312 -6.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -1.2807 -6.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -1.4803 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -0.7919 -3.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -1.7749 -4.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0371 -3.8930 -3.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -4.0905 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -0.9374 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -2.0902 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 -1.8545 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.9856 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -2.9646 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 -2.2040 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 0.0187 2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -0.8765 3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -2.2500 4.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -0.4895 4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 -1.0872 6.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -2.5436 7.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 -3.3463 6.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 -5.4368 8.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -6.1365 6.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 -5.5470 4.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 -4.6312 4.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 -5.3781 7.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -4.2692 6.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 -7.6377 3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 2.1349 8.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 3.0413 7.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 3.0514 8.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 1.3012 8.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 2.2116 6.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.0993 5.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 4.1778 5.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 3.1795 4.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 4.0369 5.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4567 3.8589 3.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 2.7789 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 2.1474 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 5.0606 1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 4.8388 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 3.0779 -0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 2.0160 0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 1.8791 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 1.5353 -3.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 2.5622 -2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 1.4472 -3.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 2.8904 -5.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 3.6921 -4.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 5.0721 -2.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 4.3190 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 5.2009 -5.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 5.9797 -5.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 7.7681 -4.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4334 6.6980 -4.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 6.8860 -3.2467 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 6 35 99 1 0 35100 1 0 38101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 58130 1 0 M END