HMDB0285084 RDKit 3D PE(DiMe(9,5)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 133133 0 0 0 0 0 0 0 0999 V2000 15.8472 -1.8410 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5546 -1.0257 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2211 0.2040 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3175 1.1838 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2105 1.7061 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3532 2.6653 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 2.4820 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3361 1.3144 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 0.5527 1.1808 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5943 0.1116 2.1015 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -0.6525 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -0.8348 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1166 -2.0123 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8404 -2.3045 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 -1.4179 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -0.9161 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -1.1827 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 -2.0057 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -3.2273 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 -2.7528 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 -2.0433 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -2.1525 1.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 -1.2649 -0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 -0.5859 -0.2019 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1620 -1.1309 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -1.2161 -1.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -0.3074 -2.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 0.9222 -2.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -0.7843 -4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0163 -1.8929 -4.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -1.5319 -3.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6146 -1.0736 -2.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1186 -0.7779 -2.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4012 -0.3200 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0221 -1.3762 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3742 -0.9493 1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8635 -0.7440 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4970 0.3958 1.5387 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7793 0.2364 1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8924 1.2718 1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5413 1.3624 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5977 2.3989 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7879 2.3012 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6066 2.3744 2.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0169 -1.1223 1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3429 -1.7718 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8034 -1.7801 1.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5407 -3.2399 1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 0.8643 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 1.6857 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 3.3140 -0.6327 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3695 3.9208 -1.9429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 3.5046 0.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 4.1183 -0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 3.6762 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 4.6343 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 3.9298 1.4109 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 -1.1812 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9955 -2.3644 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4914 -2.5804 0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3246 -1.6422 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8233 -0.7380 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9772 -0.1070 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7423 0.6951 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8288 0.8274 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9501 2.0495 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7463 0.9142 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7959 2.3059 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7700 3.5957 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 3.2481 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4715 1.6702 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8585 0.5720 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9342 1.2193 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5587 0.7176 2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6185 -1.3854 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1704 -0.0648 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7772 -2.6944 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 -3.2109 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 -2.0070 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3517 -0.5849 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 -0.2805 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -0.7544 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1547 -1.3719 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -2.3442 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -3.8747 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 -3.7588 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 -3.6648 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -2.1029 -1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 -0.9794 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -2.1167 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -0.4499 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 0.0614 -4.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.2259 -4.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 -2.7371 -3.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0147 -2.4106 -5.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -0.7872 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0267 -2.4397 -4.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1117 -0.1742 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3109 -1.9092 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7109 -1.6614 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3588 0.0037 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4527 0.0232 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7856 0.6118 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5447 -2.3341 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 -1.4782 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8908 0.0004 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0814 -1.7662 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6168 0.9113 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5061 2.2488 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7549 1.6612 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9032 0.3590 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0722 3.3842 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8733 2.5538 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4525 1.4275 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4482 3.1882 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6673 2.8982 2.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7470 1.3981 3.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4536 2.9996 3.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2946 -2.7313 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7223 -2.0121 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0629 -1.0693 2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3561 -3.7653 2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5257 -3.6705 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6036 -3.5256 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 1.1966 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1801 1.0452 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 3.1023 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 2.8071 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 3.2912 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 5.4966 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 4.9064 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2728 3.1164 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2381 4.5565 2.0744 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 47 37 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 1 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 1 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 44118 1 0 46119 1 0 46120 1 0 46121 1 0 48122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 53127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 M END