HMDB0289721 RDKit 3D PC(P-18:1(11Z)/18:3(10,12,15)-OH(9)) 134133 0 0 0 0 0 0 0 0999 V2000 1.1930 -1.2101 6.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 0.2900 6.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 0.7132 6.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 -0.0551 7.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 0.4412 7.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -0.0527 6.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 0.7071 5.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 0.0889 4.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 0.7975 3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6624 0.1395 2.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7384 -1.2148 2.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9746 0.2552 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 1.6968 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0667 1.6619 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 3.0387 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 3.0161 -2.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 2.3617 -2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 2.3294 -3.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 1.6722 -3.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 1.2105 -2.5615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3226 1.5343 -4.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 0.9149 -4.4803 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7393 1.8790 -4.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 2.8167 -3.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 3.8759 -3.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5675 3.7635 -2.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 4.9283 -2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9287 5.0186 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 5.0400 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 3.7975 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 4.0475 1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4372 2.9010 1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 2.4058 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 1.2326 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2642 0.6858 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 -0.5579 0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.4973 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 -2.6972 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -2.2472 2.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -3.4433 3.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 -4.1621 2.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 -3.2646 1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -0.3217 -5.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0967 -0.7742 -4.9412 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -2.2164 -5.7807 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6451 -2.1866 -7.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -2.3465 -6.1644 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9295 -3.5508 -4.8295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 -3.3430 -3.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -4.3899 -2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 -5.7246 -2.9099 N 0 0 0 0 0 4 0 0 0 0 0 0 4.0284 -6.4682 -1.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -5.8542 -3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 -6.4125 -3.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 -1.5132 6.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 -1.7326 7.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 -1.5547 5.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 0.6464 7.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 0.7787 5.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 1.7943 6.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 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1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 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 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END