HMDB0113071 RDKit 3D PE-NMe(16:1(9Z)/20:3(8Z,11Z,14Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -7.2361 -3.6835 -2.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 -3.0560 -1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2258 -3.0372 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -4.3116 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2522 -5.3024 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0637 -6.4744 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8186 -7.6599 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6739 -8.1041 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 -8.6769 -0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 -8.2608 -1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 -7.1121 -2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -7.6952 -4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -7.2821 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 -6.1967 -4.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -5.0414 -5.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 -3.9404 -5.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -4.2717 -4.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -3.0682 -4.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -3.3899 -4.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -2.2338 -3.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -1.1461 -3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -2.2164 -3.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -1.0722 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8188 -0.5505 -2.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 0.6885 -2.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 1.7539 -2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 1.6159 -3.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 3.0494 -1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 4.1182 -2.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 5.4397 -1.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3932 5.5760 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 4.7238 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0268 5.2043 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 4.3317 2.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 4.4267 3.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6844 4.7835 4.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 5.1109 5.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 6.5132 5.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 6.8698 6.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 5.9723 7.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 5.8657 8.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 7.1902 9.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 -1.3604 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 -0.2211 -0.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -0.3310 1.3767 P 0 0 0 0 0 5 0 0 0 0 0 0 6.7905 -0.1255 1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 0.9196 2.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 -1.7963 1.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 -1.5796 3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 -2.8527 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 -3.4535 3.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.5667 3.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9331 -4.6328 -2.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1664 -3.7276 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5035 -3.0324 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0311 -1.9859 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1203 -3.5291 -2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 -2.3750 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1488 -2.4538 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 -4.8559 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2459 -4.1160 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2523 -5.5920 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2551 -4.8493 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1467 -6.2765 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 -8.4602 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 -7.3759 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 -9.0173 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -9.5359 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -8.7519 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6114 -6.7371 -2.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 -6.3344 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -8.5000 -4.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -7.8000 -5.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 -5.8470 -3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 -6.6201 -4.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -4.7340 -5.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 -5.4927 -6.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 -3.0941 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 -3.5211 -4.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 -4.4526 -5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -5.1925 -4.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 -2.1945 -4.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -2.9023 -3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 -3.6492 -5.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -4.3106 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 -0.2741 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 -1.2186 -2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8761 -0.2625 -3.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 3.2325 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 2.9024 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 4.2946 -3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 3.7548 -3.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 5.8140 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 6.1828 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 5.6088 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 6.6535 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 3.6594 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 4.8373 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 5.0140 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 6.2560 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8287 4.3724 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 3.2582 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 4.2035 2.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5069 4.8535 5.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 4.8247 4.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 4.4409 5.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 6.6722 6.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5156 7.2093 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 6.9514 5.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 7.8979 6.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 6.3962 7.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 4.9549 6.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 5.1959 9.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 5.3688 8.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 6.9624 10.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8317 7.8100 8.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 7.6156 9.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 -1.6605 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -2.1922 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 1.2919 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 -1.1382 3.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -0.8753 3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -3.6220 4.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 -2.6223 4.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -4.3798 3.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 -1.7725 2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -2.1162 4.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -3.0935 2.7411 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 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 25 26 1 0 26 27 2 0 26 28 1 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 2 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 23 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 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END