HMDB0285636 RDKit 3D PC(14:0/18:2(9Z,11E)+=O(13)) 125124 0 0 0 0 0 0 0 0999 V2000 3.8961 -8.4108 2.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8164 -6.9171 1.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4092 -6.3872 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 -4.8828 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -4.2673 1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 -4.4948 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1647 -3.9310 4.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -2.3904 4.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.9027 5.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -0.4842 5.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2683 0.5396 5.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 0.8530 4.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 1.8634 4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 2.3098 3.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 2.3190 2.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6445 2.7222 3.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 3.1738 2.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 2.2961 1.5067 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3181 0.9551 1.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 1.0787 2.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0745 -0.4657 2.9838 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.4965 -0.5487 2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0511 -0.6490 4.6788 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.0734 -1.6194 2.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 -2.9002 2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -3.9281 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 -3.6347 0.3071 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7161 -3.2689 -0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 -4.8041 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -2.5740 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 2.0898 0.7654 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 2.5043 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 3.0655 -1.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 2.2715 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 2.8475 -2.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 2.3433 -3.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 2.9844 -4.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 2.7373 -5.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 3.4042 -6.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 4.8413 -6.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 5.9056 -6.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 5.9039 -5.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 4.7653 -5.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 4.9045 -5.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 3.7232 -4.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 2.6107 -5.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 3.7430 -4.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 2.4207 -3.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 1.4408 -3.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 1.8629 -1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 0.7536 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 -8.7010 3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -8.9914 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -8.6936 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -6.7393 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 -6.4083 2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 -6.8114 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -6.5931 3.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -4.4247 2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -4.7591 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 -3.2023 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 -4.8045 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 -5.5702 3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -4.0263 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.3919 4.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 -4.1306 5.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 -2.0549 3.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 -2.0210 4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 -2.2399 6.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 -2.4625 5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 -0.4219 6.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -0.1319 4.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 1.5041 6.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 0.2820 6.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 1.4028 3.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 0.0423 3.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.4938 5.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 2.7617 5.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 3.4620 3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1641 4.1745 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 2.7976 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 0.3530 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 0.3360 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8132 -3.1053 3.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6284 -2.8432 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 -4.0377 2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 -4.9213 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -2.2261 -0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 -3.9820 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 -3.3828 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -4.7047 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -4.8892 -0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -5.7194 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -2.8348 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -1.6739 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1009 -2.3316 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 2.7309 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8636 1.1719 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 3.9707 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 2.6781 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 1.2228 -3.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 2.5887 -3.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 4.0471 -4.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 2.5013 -5.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3764 2.8969 -4.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 1.6261 -5.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 2.9791 -7.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 3.0253 -7.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 5.0892 -6.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 5.0546 -8.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 6.9703 -6.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9017 6.8899 -5.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 3.7627 -6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 5.8511 -4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 4.3526 -4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 4.3587 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 1.9714 -4.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 2.6297 -3.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0302 0.5142 -2.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 1.0774 -3.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 2.7407 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 2.0907 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 0.2720 -1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4645 1.1470 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7751 -0.0486 -0.6214 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 2 0 14 16 1 0 16 17 1 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 0 17 80 1 0 18 81 1 6 19 82 1 0 19 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 28 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 42112 1 0 43113 1 0 44114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M CHG 2 23 -1 27 1 M END