HMDB0287332 RDKit 3D PC(18:3(10,12,15)-OH(9)/20:3(5Z,8Z,11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -4.9674 -3.1244 2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -1.6894 2.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -0.8466 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 0.1704 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1818 1.0958 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6697 2.4681 1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 3.1748 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 4.5192 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 5.3957 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 6.7324 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 6.9708 1.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 7.8306 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 8.1215 -1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9524 7.0464 -1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 7.4629 -2.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 7.6516 -0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 6.3509 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 5.2835 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 3.9992 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 3.1922 -0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 3.5130 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 2.2158 1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 1.6737 2.2203 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2091 1.6224 1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 0.8706 0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 0.8718 0.3326 P 0 0 0 0 0 5 0 0 0 0 0 0 5.8349 -0.1353 1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7325 2.4026 0.7016 O 0 0 0 0 0 1 0 0 0 0 0 0 5.4436 0.4184 -1.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 1.2792 -2.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 0.9407 -3.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.3594 -3.9729 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5507 -0.8468 -4.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3027 -0.3219 -4.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 -1.3378 -2.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 0.3448 2.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 -0.1129 3.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 0.6712 4.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -1.4870 3.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -2.5017 4.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7835 -3.8928 4.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -4.9039 4.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 -5.9826 4.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 -6.3198 2.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -6.4393 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -5.7960 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 -4.7597 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -5.1924 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -4.4995 -2.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -3.2737 -2.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5597 -2.0593 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -2.3104 -4.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 -1.1399 -4.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9793 -0.7006 -3.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -1.7502 -3.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -1.1620 -2.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 -2.1513 -2.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 -3.5383 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 -3.2261 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6152 -3.6992 3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -1.3105 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -1.6769 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 -1.0634 0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 0.3471 3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 1.0428 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 0.7704 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 2.8782 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 2.7518 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 4.8974 1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0895 5.0999 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6004 6.6942 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8367 7.9496 1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 7.7522 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6262 8.7710 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 9.1040 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 8.3684 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 6.8793 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 6.1040 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 6.7211 -2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 8.4617 -2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 7.8799 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 8.4608 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 6.5559 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 6.0247 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 5.6461 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 5.1482 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 2.2747 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 1.5381 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7453 2.2246 3.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 1.2074 2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 2.6442 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 2.3038 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 1.2745 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 1.0899 -3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 1.6857 -4.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 -1.5617 -5.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4073 -1.3736 -4.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 0.0044 -5.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8896 -1.3519 -4.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 -0.0523 -5.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 0.3870 -4.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 -1.0562 -2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 -2.2821 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -1.5159 -2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -1.7840 3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -1.4605 4.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -2.5593 3.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -2.2257 5.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.0330 3.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -3.8088 5.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 -4.7415 5.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -6.7049 4.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 -5.7676 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 -7.3977 2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 -7.2057 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -6.0340 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -3.7463 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 -4.7824 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -6.1195 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 -4.8420 -3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -3.4518 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 -2.9680 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -1.8133 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -1.2171 -2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -3.2057 -3.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -2.6408 -4.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1732 -1.2570 -5.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -0.2683 -4.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -0.3702 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4436 0.1807 -4.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -2.6480 -3.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -2.0580 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -0.7307 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -0.2959 -3.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -1.6498 -2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 -2.6944 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2994 -2.8724 -3.2847 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 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 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 28 -1 32 1 M END