HMDB0289529 RDKit 3D PC(P-18:0/20:3(5Z,11Z,14Z)-O(8,9)) 140140 0 0 0 0 0 0 0 0999 V2000 6.0018 -2.2649 -1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -1.7380 -3.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -1.0953 -2.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -0.6235 -4.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 0.0409 -3.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 0.4656 -5.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 0.0451 -5.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 -0.8989 -5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 -0.2298 -4.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 0.0003 -3.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -0.3473 -2.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -1.3215 -1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 -1.6949 -0.5851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -2.6514 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -3.8685 -1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -5.0842 -1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -5.9049 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 -5.7853 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 -5.7238 2.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 -4.5801 2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 -3.2686 2.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5423 -3.0873 1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -2.0992 2.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 -0.8708 2.7377 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6152 0.1624 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 0.4478 3.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 -0.3958 3.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 0.0777 4.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -0.7116 5.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 -0.6514 4.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -1.2578 3.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 -1.4158 2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -0.2847 1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 0.6138 2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 1.7005 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 2.5482 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 3.5590 -0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 4.4774 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 5.4298 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 4.9191 -1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9055 4.1031 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 2.7850 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1294 2.0845 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6300 1.8920 -1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 -0.3760 4.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8415 0.8184 3.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5505 1.5147 5.1622 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2424 0.6206 6.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8885 3.0255 5.4139 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.2307 1.5511 4.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5757 1.2064 3.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0652 1.2524 3.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5247 0.9077 2.1884 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.6970 1.6310 1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4856 1.1030 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8211 -0.5131 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9867 -2.6842 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1918 -1.5275 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -3.1669 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 -0.9781 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 -2.5387 -3.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -1.8023 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1717 -0.2312 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 -1.4651 -4.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9568 0.1751 -4.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 -0.6661 -3.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 0.9558 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 1.2030 -5.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 0.4412 -6.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 -1.7711 -5.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 -1.2205 -4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3764 0.1013 -5.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 0.5020 -3.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 -0.7143 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 0.6324 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2381 -1.1880 -2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 -2.8276 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 -4.0501 -2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 -3.7342 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 -5.3623 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3502 -6.7949 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8286 -4.9818 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7427 -6.7313 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -6.7104 2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 -5.6400 2.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 -4.6153 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 -4.7629 3.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -0.8898 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -0.1437 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 1.1289 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -1.4653 4.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 1.1439 4.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -0.3359 6.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.7913 5.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 0.3872 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -1.2993 4.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 -2.3177 3.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -0.7986 2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2235 -2.1019 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9979 -2.0833 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7936 -0.7554 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.2883 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6926 0.0514 2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 1.1617 3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 1.2024 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 2.3232 2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 3.1378 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 2.0097 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 2.9986 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 4.1957 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 5.0920 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8687 4.0414 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 6.1484 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 6.0891 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0288 4.3999 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0341 5.8474 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4066 3.9101 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7244 4.7194 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 2.8295 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1207 2.1121 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8124 2.6422 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9443 1.0938 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1873 2.7518 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2843 0.9932 -1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 1.6691 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 -0.1629 4.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8956 -1.0912 4.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0672 1.8740 2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1875 0.1773 3.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5126 0.6361 4.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3653 2.3290 3.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2245 1.0920 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3075 1.8522 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3485 2.6344 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5917 0.4752 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8902 0.7342 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2313 2.1728 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5764 -0.7525 2.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1511 -0.8744 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8987 -1.0928 2.5055 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 1 0 13 14 1 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 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 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 14 12 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 27 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 M CHG 2 49 -1 53 1 M END