HMDB0296353 RDKit 3D DG(20:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 123122 0 0 0 0 0 0 0 0999 V2000 17.4486 0.9648 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5646 2.1769 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5322 1.9572 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7318 3.2410 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6801 3.1617 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6536 2.0760 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9179 2.3242 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8799 1.2580 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9003 1.2229 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7943 0.2191 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3784 -1.1488 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 -2.2241 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.2657 1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3925 -3.3215 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 -3.4410 2.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 -2.1537 2.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -1.7108 1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -0.4044 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 0.1014 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2983 -0.8697 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.6271 -0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 -0.8621 1.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 -1.6352 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 -1.2923 0.2258 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3818 0.0185 0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 -1.5122 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -1.4343 -2.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2023 -0.3327 -2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 0.7516 -1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 -0.4254 -3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5801 0.1415 -2.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 -0.6550 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2413 -2.0561 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3359 -2.7135 -1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6329 -2.2886 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9392 -0.9315 -1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3115 -0.5312 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4571 -1.3929 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7247 -1.5825 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8633 -1.0799 1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2376 -0.2063 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3082 -0.9683 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5047 -0.4274 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8675 0.8157 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1443 1.2122 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6337 2.4575 0.7782 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.8555 2.8384 1.8737 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6288 3.5715 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1384 4.8502 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4054 1.0756 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9005 0.0775 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7081 0.8377 -2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0593 2.3802 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2232 3.0465 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 1.0813 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1124 1.7632 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4442 4.0475 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3277 3.4624 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1599 3.0788 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1289 4.1454 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0813 1.0674 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9453 2.1707 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4377 3.3380 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6190 2.3502 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3496 1.4379 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4164 0.2857 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4104 0.9573 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5043 2.2501 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1020 0.2880 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 0.4814 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9871 -1.1570 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9627 -1.4225 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 -2.0093 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 -3.1990 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 -2.5039 2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 -1.2971 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -4.3118 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 -3.0593 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -3.8303 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -4.2078 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2847 -2.2912 3.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6316 -1.3222 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -1.5156 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 -2.5338 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 0.3358 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -0.5055 2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 0.2925 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 1.0767 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.5888 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -2.7334 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.9371 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 0.4828 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 -0.7053 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 -2.5056 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -1.4520 -3.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 0.1803 -4.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3264 0.1332 -3.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3907 1.1952 -2.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 -0.5865 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7428 -0.1072 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3341 -2.6224 -2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2789 -3.8106 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3871 -2.5455 -2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0896 -2.9891 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8974 -0.1177 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4675 0.5766 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7230 -0.9353 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0221 -2.4348 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7139 -2.2618 2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7215 -1.3834 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6539 0.7535 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4960 0.0053 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0584 -1.9088 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2605 -0.9933 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2788 1.4813 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8234 0.6021 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6883 2.3309 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0453 3.3032 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2801 3.2916 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5908 3.7129 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7815 4.9615 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7733 5.7186 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2646 4.8626 0.4084 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 1 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 1 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 1 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END