HMDB0288086 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(18R)/22:3(10Z,13Z,16Z)) 150149 0 0 0 0 0 0 0 0999 V2000 -2.6300 6.8431 -6.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 7.6403 -5.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 7.6737 -4.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 6.3082 -4.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9773 6.4044 -3.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4287 4.9916 -3.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7664 5.0980 -2.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0872 4.7301 -1.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1156 4.1351 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 2.7776 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7934 1.7178 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4895 1.7085 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5841 0.7497 -2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -0.2827 -2.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 -0.6410 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -0.6621 -2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 0.6537 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 0.6458 -3.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 0.4671 -2.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 0.4342 -2.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 0.3340 -1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 0.2519 -2.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 0.2173 -1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 1.3116 -1.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -0.8457 -0.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 -0.7553 0.4621 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6698 -1.6750 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 -3.0035 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 -4.0230 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 -3.7418 -0.6941 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5971 -5.4065 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -5.6786 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 -4.8851 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 -5.1398 -1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 -5.6121 -2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -5.9686 -1.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -5.0681 -2.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 -4.2249 -1.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 -4.0962 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -4.3858 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -3.5626 1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -2.2171 1.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 -2.1949 3.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -1.3087 3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -0.2014 3.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.0696 3.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 2.3567 3.4063 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7762 3.3513 4.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 2.7905 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 1.9242 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -0.8114 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4196 -1.9373 2.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -1.7428 3.8763 P 0 0 0 0 0 5 0 0 0 0 0 0 6.1090 -1.1312 4.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 -0.6699 4.0048 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5938 -3.2195 4.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5795 -3.0337 5.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -4.3481 6.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -4.2941 7.2318 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9706 -4.5884 6.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -3.0105 7.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -5.3031 8.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 7.4835 -7.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 6.6060 -6.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 5.8798 -6.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 8.7125 -5.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 7.2996 -4.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 8.3054 -4.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 8.0913 -5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 5.6430 -5.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 5.8222 -3.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 7.0494 -3.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6958 6.8447 -4.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6618 4.4901 -2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5921 4.4739 -4.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5854 5.5312 -3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1068 4.8601 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 4.2532 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1558 4.7491 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5001 2.7131 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1768 0.7630 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 1.3483 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1802 2.6800 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3398 0.9397 -3.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 -0.9544 -3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 -1.7532 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -0.1242 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -1.4777 -2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 -0.9258 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 0.9285 -3.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 1.4331 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 -0.1649 -4.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 1.6256 -3.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 1.3986 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -0.4149 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 -0.3982 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 1.3827 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -0.5008 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 1.2738 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 1.1115 -3.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3184 -0.6490 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9864 0.3028 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -1.3101 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -1.6442 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 -5.6947 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 -6.0697 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -6.7450 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 -5.4929 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 -5.2354 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -3.7952 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 -4.9180 -2.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -5.7512 -3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 -7.0322 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 -6.0373 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 -5.1379 -3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 -3.6009 -2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 -4.8443 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 -3.0673 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 -5.3819 0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -3.8755 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -1.9857 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 -1.5064 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 -2.9874 3.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 -1.3489 4.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -0.2041 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 -0.3444 3.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0619 1.0698 3.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 0.9677 4.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 2.4304 3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 3.0016 5.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5316 2.9866 1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 3.8247 1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 2.5548 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 1.2624 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 1.3601 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -0.5386 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 0.0437 1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -2.3301 6.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 -2.5866 5.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 -5.0846 5.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -4.7331 6.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 -5.4431 5.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -3.6875 6.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -4.8930 7.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 -2.8624 8.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 -2.1816 7.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -3.0361 8.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5218 -6.3044 7.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -5.1439 8.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 -5.3216 9.0051 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 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 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 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 1 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 55 -1 59 1 M END