HMDB0288200 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 145144 0 0 0 0 0 0 0 0999 V2000 -4.5605 4.0523 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0942 3.7637 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 3.7293 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 5.0441 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 5.1036 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 6.4477 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 6.7143 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 5.7089 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 6.0926 1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 5.3639 2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 3.9643 2.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 3.1630 2.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 2.6345 3.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 2.7191 5.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 1.5109 5.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 0.9313 6.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.3227 6.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 0.0378 6.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 0.3501 5.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 1.0429 4.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 0.0208 3.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 0.5639 2.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 1.7713 1.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -0.3248 0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 0.1781 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 -0.8008 -1.4147 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6516 -1.7781 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -2.6277 -0.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6221 -3.6580 0.2069 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.7886 -2.8056 0.6207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 -4.8450 1.3487 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9771 -4.3395 -1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 -5.7154 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2582 -6.2240 -2.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 -5.7513 -3.6766 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9840 -5.6682 -3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7407 -4.5032 -4.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 -6.7443 -4.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.5354 -1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 -1.6102 -3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 -0.9621 -3.9645 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.3417 -3.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -2.8836 -2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -3.6554 -3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -4.1884 -2.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -4.0454 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 -4.6212 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -4.4565 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -3.6836 1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 -4.0254 2.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 -2.2074 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 -1.3717 2.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 -0.4727 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -0.1559 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 1.2461 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 1.6852 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 0.8135 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 1.0644 -2.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9013 2.4905 -3.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 2.7980 -4.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 4.2366 -4.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 3.6446 -3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 5.1383 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 3.5198 -2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 4.5128 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 2.7648 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 2.9695 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 3.5101 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 5.2579 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 5.9140 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 4.2649 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 5.0365 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 7.3105 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 7.7647 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 5.9178 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 4.6765 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 7.1614 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 5.7974 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 3.8984 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0838 3.5080 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 3.0824 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 2.0630 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 3.3677 5.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 3.3822 5.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 1.0615 6.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 0.0056 7.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 1.6145 7.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 2.1308 5.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 -0.5601 6.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 -0.5054 5.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -0.5365 5.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 1.0588 6.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 1.2707 4.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 1.9564 4.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 -0.8757 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -0.2778 3.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 0.6263 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 1.0350 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9039 -0.2808 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 -2.3525 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -1.1585 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -6.1145 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -6.1024 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2314 -7.3354 -2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2813 -5.8786 -2.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -4.7638 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -6.5785 -2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 -5.6303 -3.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9189 -4.5822 -5.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -3.7573 -4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 -4.1229 -3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 -6.6339 -5.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4411 -6.4939 -5.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -7.7710 -4.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 -1.6911 -4.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 -3.2160 -4.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 -3.5488 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 -2.0257 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6528 -3.0051 -4.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -4.4831 -4.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 -4.7738 -3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 -3.4710 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 -5.1921 -0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 -4.8974 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -3.8925 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -4.5890 3.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -1.9412 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7746 -2.1212 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 -1.4853 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.1069 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -0.2733 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 -0.8664 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 1.9484 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 2.7770 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 -0.2429 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 1.1661 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 0.8904 -3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 0.4234 -3.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 2.6264 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 3.2429 -2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 2.6266 -5.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 2.1208 -5.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 4.8244 -3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 4.7349 -5.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 4.3239 -5.2460 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 22 24 1 0 24 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 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 36106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 38114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 46122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 31 -1 35 1 M END