HMDB0268226 RDKit 3D PA(i-20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 133132 0 0 0 0 0 0 0 0999 V2000 18.3045 -0.9912 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2926 -0.6743 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4744 0.4655 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1802 0.3834 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3626 -0.7993 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 -1.1393 1.7865 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6029 -1.3860 2.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7598 -2.3287 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7732 -2.2532 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -3.3935 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9159 -3.3429 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6116 -2.1741 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 -2.2014 -2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 -1.0314 -2.8846 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7442 -1.2552 -4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 0.2310 -2.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5142 1.3327 -3.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 2.3649 -2.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 2.5443 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 2.6518 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 1.8261 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 0.6767 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 0.6664 1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 0.6151 1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 0.3836 3.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 0.8113 1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 0.7368 1.4925 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9711 -0.1868 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 -0.1999 1.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -0.9563 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -1.6087 -0.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -1.0301 1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 -1.8632 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9825 -2.0746 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 -0.8740 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9425 -0.0815 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8174 1.1412 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 0.7498 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9009 -0.1065 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2563 -0.5406 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1616 0.6262 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3547 1.5340 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2788 2.6500 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7335 2.5922 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4609 1.6348 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4499 0.2194 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2194 -0.6373 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1790 -2.0641 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9262 -2.9271 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7399 -2.5458 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 2.1403 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 2.0126 1.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 3.4840 1.8274 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0091 4.6430 1.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 3.7497 3.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 3.4107 0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8486 -0.0794 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0398 -1.7180 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7418 -1.4053 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7847 -1.5796 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8605 -0.3261 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0116 1.4276 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6655 1.3060 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 -0.4831 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8901 -1.6760 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0592 -0.2395 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8780 -0.5918 3.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9374 -3.2293 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 -1.3032 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0644 -4.2925 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3050 -4.2541 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1977 -1.2857 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -3.1220 -2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 -0.8416 -2.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6289 -1.7050 -4.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9026 0.3915 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0603 0.0356 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7751 1.2685 -4.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5715 3.1469 -3.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9634 1.9461 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 3.6182 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 3.5022 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 2.0579 -0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 0.4322 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 -0.2349 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 1.5346 2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 -0.2249 2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7734 0.4645 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -1.2232 0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 0.1670 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 -1.4709 2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 0.0209 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -1.3966 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 -2.8500 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4412 -2.7129 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0373 -2.7578 1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8504 -1.2431 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 -0.2424 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 -0.6947 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 0.2942 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4237 1.8428 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9112 1.6400 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 0.3684 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7677 1.7485 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0544 0.4512 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2655 -0.9758 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7257 -1.2648 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1756 -1.0772 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0422 0.3821 0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5634 1.2762 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3424 1.9697 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6500 0.8616 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0085 3.4852 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9416 3.2115 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0396 2.4042 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1739 3.6625 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5589 1.9204 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0932 1.5980 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5455 -0.2613 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0695 0.2152 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2568 -0.2646 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7297 -0.5529 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6488 -2.1216 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8285 -3.3799 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2771 -3.7508 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3081 -2.3485 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6638 -3.6394 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1533 -2.0869 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2506 -2.2600 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 2.8349 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 2.5396 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 4.4015 3.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7543 3.1292 -0.1632 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 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 1 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 6 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 1 28 89 1 0 28 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 55132 1 0 56133 1 0 M END