HMDB0286182 RDKit 3D PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/17:0) 140139 0 0 0 0 0 0 0 0999 V2000 0.5762 -1.8584 -3.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -0.3691 -3.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.0445 -5.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5717 0.8401 -5.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 1.6377 -4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 1.3101 -4.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5966 2.2054 -4.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 3.6420 -5.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 4.4118 -4.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 5.1894 -3.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 5.3581 -3.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 4.9436 -1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 5.6945 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 7.0326 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 7.7453 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 7.4198 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 6.8258 1.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 6.4419 0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 6.9336 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4547 6.2615 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 4.9057 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 4.0209 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9209 2.5759 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 2.1312 -1.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9449 1.6965 -1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 0.3587 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4361 -0.4450 -0.3307 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7690 -1.9641 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -2.4729 0.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -4.1135 0.9530 P 0 0 0 0 0 5 0 0 0 0 0 0 5.8054 -4.3939 1.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -4.9053 -0.5054 O 0 0 0 0 0 1 0 0 0 0 0 0 3.2636 -4.6789 2.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 -3.6682 3.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 -4.1575 4.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -3.1895 5.0918 N 0 0 0 0 0 4 0 0 0 0 0 0 1.0313 -3.8607 6.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 -2.5666 5.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 -2.1214 4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -0.3960 -0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -0.0355 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 0.2958 1.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 -0.0298 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 1.1878 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 1.2056 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.0497 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 0.1043 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 -0.9100 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4383 -1.2313 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4147 -1.8649 -2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 -3.2440 -2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -3.6131 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -5.0893 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 -5.5401 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -5.4331 1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9134 -5.9020 2.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 -7.3351 2.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 -8.2942 2.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -2.0665 -2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -2.1135 -3.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -2.4733 -4.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 0.1647 -3.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -0.3350 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -0.6109 -6.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 1.0173 -6.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 2.6801 -4.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 1.3367 -3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0075 0.2514 -4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 1.8337 -4.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 3.8941 -6.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 3.8172 -5.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 4.3124 -4.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 5.7712 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 6.4825 -3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 4.8842 -3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 3.9187 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 5.2364 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 7.4632 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 8.7704 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 8.3710 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 6.6471 2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 6.5255 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 5.4019 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 7.9307 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 6.6902 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 4.9300 -2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 4.4901 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 4.0745 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 4.3779 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1393 0.0606 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 0.1098 -2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 -0.1195 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 -2.0696 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2379 -2.3440 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 -3.6034 3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 -2.7001 2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 -4.3289 3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -5.1355 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 -3.9839 5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 -3.1991 7.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -4.8556 6.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -1.9262 4.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -3.2572 6.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 -1.8567 6.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.1327 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 -2.3683 3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.0454 5.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -0.8905 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 -0.2253 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 1.1538 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 2.1211 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 1.2771 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 2.0636 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.9459 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 -0.0012 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 1.0919 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 0.3954 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3701 -0.4631 0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -1.8278 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4481 -1.8060 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -0.2623 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 -1.1749 -2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 -1.8070 -3.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -3.9125 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 -3.5337 -2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5402 -2.9882 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 -3.5996 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -5.2042 -1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 -5.7341 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 -6.6267 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -5.0294 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -4.3723 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -5.9926 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -5.2799 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 -5.8317 3.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 -7.4751 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 -7.6022 3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -8.3611 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -9.3088 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 -7.9226 2.7434 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 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 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 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 13 77 1 0 14 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 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 1 28 93 1 0 28 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 37 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 39107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 M CHG 2 32 -1 36 1 M END