HMDB0114539 RDKit 3D PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) 139138 0 0 0 0 0 0 0 0999 V2000 6.4682 -1.2294 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2826 -1.3218 1.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 -2.6827 2.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 -3.4706 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -3.0834 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -4.0417 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 -4.7605 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 -4.7405 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -4.2979 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.2594 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 -2.3630 1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 -0.9786 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 0.0693 1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -0.0817 2.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 0.5767 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4354 0.4099 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 -1.0704 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5543 -1.4580 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 -2.8786 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 -2.9591 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 -3.1456 -3.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 -2.8092 -2.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -2.8007 -3.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6295 -1.4222 -3.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5224 -0.3986 -3.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 0.9545 -3.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 1.2711 -3.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1447 2.0013 -4.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8901 3.3854 -3.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 3.8575 -3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 4.3194 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 4.4051 -1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 3.6707 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 4.3336 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 5.7737 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 6.2663 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 7.0888 2.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 7.7083 2.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8894 7.3697 3.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 6.6893 4.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 6.1194 3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 4.6407 3.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 3.9747 3.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 4.5642 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3501 4.0560 2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 2.6226 2.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 2.0166 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3762 2.0043 5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -3.8326 -3.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 -3.7753 -4.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -4.9387 -4.3904 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7296 -4.5051 -3.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 -5.0067 -5.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 -6.4612 -4.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -7.3888 -5.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 -8.7090 -4.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 -9.0676 -3.3232 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -10.3060 -2.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 -8.9355 -3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3904 -0.8566 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 -0.4644 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -2.2208 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 -0.8627 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 -0.6892 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9859 -3.1139 2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -4.4761 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -2.1067 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -2.8693 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -4.0979 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 -5.4461 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -5.8380 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 -4.2083 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -4.9426 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2355 -3.0801 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -2.6732 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -2.4157 2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 -0.7300 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 1.0834 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 0.5061 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -1.0798 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 1.6882 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 0.4174 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 0.8272 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 0.9419 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 -1.7000 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9617 -1.0552 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0006 -0.7544 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4472 -1.3608 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 -3.0279 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3056 -3.6114 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 -2.9579 -4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -1.2489 -2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -1.4870 -4.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0716 2.0464 -5.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2111 1.6965 -3.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 4.0361 -4.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 3.6164 -2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 3.8368 -4.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7024 4.6370 -3.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2575 5.4775 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 3.9765 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 2.5756 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 3.8028 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3298 6.1216 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 6.3567 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 5.9222 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 7.4068 3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 7.6053 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 8.8413 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 7.7430 4.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 6.4933 5.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 6.3460 2.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 6.5359 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 4.0939 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 2.8721 3.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5848 4.3227 4.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 5.6824 3.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3155 4.6161 3.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1249 4.3464 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 2.0044 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 2.4418 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 2.4617 4.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 0.9247 3.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 2.0394 5.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7353 2.7805 6.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5307 1.0231 5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -4.8089 -3.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -3.6076 -2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -4.1655 -5.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -7.4654 -5.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 -7.0393 -5.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 -8.5075 -4.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -9.5060 -5.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -10.4085 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -11.1686 -3.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -10.1871 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -9.1635 -4.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -7.8558 -3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 -9.5122 -2.4145 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 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 2 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 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 57 58 1 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 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 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 53129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M END