HMDB0285216 RDKit 3D PE(P-16:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 123122 0 0 0 0 0 0 0 0999 V2000 15.1568 -0.9460 2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9689 -0.1593 2.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2622 1.2856 2.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2650 2.2779 2.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9059 2.2597 2.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0801 1.0846 2.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5975 0.3660 1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8585 0.6923 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 0.9640 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 0.2777 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0262 -0.8175 -2.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5385 -2.1737 -2.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4379 -2.7074 -1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 -1.9678 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3048 -2.6195 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 -1.9565 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 -2.6326 0.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 -0.4977 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6007 0.2930 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 -0.1443 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 0.0242 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 0.6023 0.7398 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.4249 -0.4556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 -0.2652 0.5682 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4807 -1.5796 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 -1.5364 2.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -1.0514 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -1.6459 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 -1.1803 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -0.8811 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2408 -0.3784 -1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4884 -1.1438 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0966 -1.5116 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4008 -0.3158 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3582 0.6325 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6792 0.0302 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4350 -0.4580 0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7481 -1.0467 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6025 -1.5288 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0630 -0.5288 2.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9680 0.5516 2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4785 1.4840 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 0.5918 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 1.8197 -0.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 2.7949 -1.1033 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9025 2.8403 -0.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1728 4.3817 -1.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 2.2312 -2.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 2.2620 -3.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 1.7288 -4.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 0.3603 -4.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0788 -1.0198 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0735 -0.4101 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1465 -1.9399 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0278 -0.5472 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9936 -0.3768 3.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5851 1.4280 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2218 1.5042 3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6903 3.3192 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2060 2.2064 4.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9483 2.7162 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3389 3.0926 2.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8501 0.7886 3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9854 -0.4958 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 1.5376 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4519 -0.1973 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9639 1.7833 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3308 0.6176 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -0.8235 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1545 -0.5431 -3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2438 -2.9073 -2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3017 -3.8027 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -0.9476 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 -3.6764 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2159 -0.1910 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -0.3789 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 1.3626 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 0.1739 -1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 0.3988 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -1.2345 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 0.2989 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -2.2433 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -2.1182 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -0.1805 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -2.5062 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1233 -0.2125 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5554 -1.9794 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -0.0569 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5311 -1.7234 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0515 -0.1666 -2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3682 0.6841 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2411 -0.6601 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2858 -2.1304 -1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1569 -1.8883 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6622 -2.3690 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9066 -0.6965 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4856 0.2840 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5192 1.5072 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9026 1.0045 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3035 0.8818 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6663 -0.7163 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5731 0.3139 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8794 -1.2888 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4953 -1.9404 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3147 -0.3865 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5364 -1.9515 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1007 -2.4079 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5985 -1.1088 3.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1931 -0.0538 3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2098 1.1676 3.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9965 0.1464 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9016 2.5361 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3998 1.6171 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9163 1.2577 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 0.7898 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 0.1289 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 4.5201 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 3.3112 -3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 1.6254 -3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 2.3749 -5.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 1.7025 -5.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 -0.1163 -4.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 0.4489 -3.9872 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 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 28 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 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 1 25 82 1 0 25 83 1 0 27 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 M END