HMDB0268004 RDKit 3D PA(i-18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 124123 0 0 0 0 0 0 0 0999 V2000 -3.1365 -0.6109 6.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 0.1361 7.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 0.8239 7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 0.5731 7.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 -0.3692 8.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -1.4444 7.8673 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6880 -2.2674 8.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -0.9250 7.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3568 -0.5596 5.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -0.0300 5.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 0.3232 3.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 0.8560 2.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 1.2216 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 1.1000 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 1.4738 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 1.9799 -0.9748 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6303 1.5355 -2.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 3.4021 -1.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4861 4.0431 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 4.2428 -1.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 4.3727 -1.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 5.2551 -2.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 5.4012 -2.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 6.4863 -1.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1311 4.3121 -2.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 4.4883 -2.0702 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7319 3.8038 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 2.4308 -0.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 1.6876 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 2.3145 1.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 0.2598 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -0.3912 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -1.8622 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -2.0793 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -3.5818 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 -3.8951 2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -3.3901 2.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 -3.7661 1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -3.4069 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -3.8176 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 -3.5001 -2.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -2.0539 -2.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0646 -1.7515 -4.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 -2.4903 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -2.1212 -6.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4209 -0.6538 -6.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 -2.8366 -6.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 3.9183 -3.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 2.5620 -3.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 1.9739 -4.4681 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5250 2.6212 -4.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4264 2.3354 -5.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 0.3166 -4.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 -1.2632 5.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 -1.2179 6.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 0.1136 5.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -0.5563 8.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 0.9268 8.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 1.5791 6.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.1659 6.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.2143 9.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -0.8835 8.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.0413 7.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 -1.7598 9.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 -0.8173 7.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -0.6517 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4449 0.0900 5.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2353 0.1843 3.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2876 0.9503 3.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 1.5990 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 0.7153 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 1.3579 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 1.4367 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 1.9299 -2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 3.4139 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 4.9494 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7716 5.2869 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 3.9828 -3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 4.8927 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 3.4673 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 4.9070 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 6.2976 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 5.5775 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 3.9403 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 4.3178 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.2893 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 0.1312 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 0.0403 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -0.2729 -1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 -2.2794 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 -2.3931 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.5448 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -1.7374 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 -3.8944 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -4.1537 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -5.0278 2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -3.6048 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1781 -3.7231 3.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 -2.2575 2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -4.8595 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -3.2246 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -4.0330 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -2.3216 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7338 -3.3012 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 -4.9165 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 -4.0478 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -3.8163 -3.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -1.6536 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -1.4484 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.0827 -4.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -0.6605 -4.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -3.5937 -4.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 -2.2899 -3.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 -2.4737 -6.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -0.1019 -6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -0.2897 -5.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -0.4943 -7.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -2.6321 -7.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 -2.4611 -5.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -3.9456 -6.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 4.4689 -4.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4558 4.0199 -2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 2.4548 -6.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -0.0497 -3.6769 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 1 17 74 1 0 18 75 1 6 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 1 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 53124 1 0 M END