HMDB0285473 RDKit 3D PE(P-18:1(11Z)/20:3(6,8,11)-OH(5)) 131130 0 0 0 0 0 0 0 0999 V2000 1.9286 3.1770 6.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 2.3383 6.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 3.1518 5.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7371 2.4692 5.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 1.1848 4.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 0.5944 4.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 -0.6427 3.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 -0.8795 2.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5013 0.1547 1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 0.5278 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 1.6285 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4214 2.1380 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 2.6073 -1.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 3.1457 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 3.5776 -3.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 2.5757 -3.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 1.6720 -2.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 1.6814 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 0.7500 -0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 0.9632 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0215 -0.1480 1.6504 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0310 0.2146 2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -0.8041 3.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -0.6905 5.0605 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1657 -2.1042 5.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 0.0250 4.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 0.1639 6.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -0.3120 7.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 0.3904 8.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 -0.1274 9.9592 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -1.4153 1.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 -2.5752 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -2.3216 2.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -3.9053 1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3006 -5.0090 1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -5.3459 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 -4.4798 1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 -3.9425 2.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -3.5705 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 -3.9160 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 -3.0864 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 -3.5092 -3.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -2.7786 -4.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 -1.5313 -4.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -1.3515 -5.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 -0.1479 -5.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 0.6725 -6.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 1.2330 -7.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 0.2594 -7.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 0.9930 -8.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 1.8513 -7.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 1.0037 -6.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 1.8570 -5.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 2.7928 6.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 4.2132 6.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4392 3.2127 5.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.4216 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 2.0472 7.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 4.0643 5.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 3.4667 4.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 3.1477 4.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 2.1497 6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 0.4288 4.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 1.3461 3.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 1.3821 3.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 0.3516 5.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 -1.4777 3.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5431 -1.8537 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5289 -0.2611 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6858 1.0547 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 -0.3838 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 0.7986 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 2.4484 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8498 1.2289 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 1.4072 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0599 3.0178 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 3.5475 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 1.9540 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 2.5069 -3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 4.0870 -3.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 4.2781 -4.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 4.3348 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 1.9876 -4.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 3.1512 -3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 0.8797 -2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 2.4124 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 1.0454 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 1.9575 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 -0.2433 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 1.1933 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 0.2529 2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7602 0.4189 5.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4672 -1.3969 7.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 -0.1932 7.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 0.2691 8.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 1.4740 8.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.1474 10.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 -1.1508 10.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -3.9572 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -4.0084 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -4.9400 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 -5.9711 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -5.9663 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 -6.2131 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -5.2338 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 -4.2401 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 -2.6245 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -4.8461 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -2.1550 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -4.4796 -3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -2.5169 -5.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -3.4369 -5.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -0.7765 -3.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -2.1611 -6.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.5333 -4.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 -0.3631 -4.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 0.0415 -7.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5628 1.5160 -6.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 1.9618 -6.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.8903 -8.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2786 -0.4859 -7.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -0.2885 -8.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 1.6474 -9.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 0.2939 -8.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 2.6991 -7.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 2.2975 -8.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 0.4996 -5.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 0.2212 -6.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 2.9022 -5.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 1.5196 -4.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8592 -5.5918 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 1 0 11 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 20 87 1 0 20 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END