HMDB0266079 RDKit 3D PA(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 126125 0 0 0 0 0 0 0 0999 V2000 17.4159 1.8943 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2833 0.8884 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8343 0.9083 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 1.2203 1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5091 1.5939 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0073 2.9341 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 3.1554 1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7492 2.1037 1.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6462 2.4451 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 1.7933 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8562 0.4798 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 0.6059 -1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 -0.1540 -2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 -1.3344 -3.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6411 -1.9520 -2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3369 -2.1140 -1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 -1.7107 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3226 -0.7426 -2.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -1.3740 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -2.6504 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -2.5743 -2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -1.7716 -2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -1.9935 -2.9315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -0.7757 -1.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.0619 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 -0.7790 -0.1880 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3597 -2.2611 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.7998 0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 -4.4719 0.9411 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8890 -4.9116 -0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -5.1796 1.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -5.0121 1.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 -0.2171 -0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 0.3715 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 0.4641 2.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6052 0.8944 1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 -0.1481 1.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9348 0.3168 1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4635 0.6050 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -0.0508 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2383 -1.1578 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9928 -1.7593 1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8544 -1.8403 2.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2219 -1.3440 2.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3944 -0.3295 3.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7603 0.8903 3.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0576 1.4852 2.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4749 1.9010 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4024 1.4345 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1690 0.4516 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5204 0.9446 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9074 1.2287 -1.5752 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.8763 1.6839 -2.9333 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7279 2.1985 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1440 3.5938 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3619 1.5369 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 2.8337 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6408 1.9874 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8011 -0.1338 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5268 0.8950 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5191 0.6597 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3222 1.2139 2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7779 0.8009 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9643 1.7017 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6810 3.7946 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4058 4.1815 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0760 1.0798 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2837 2.2663 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 3.4106 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3628 2.0846 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 0.2538 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1129 -0.3224 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0996 1.4808 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 0.1720 -3.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0377 -2.1192 -3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6108 -1.1328 -3.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2231 -2.3842 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 -2.6247 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -1.2704 -3.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 -2.6333 -3.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 0.1217 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.3815 -3.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -0.6514 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3494 -1.6209 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -3.0205 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -3.4757 -1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 -2.1570 -3.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -3.6374 -2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 0.8902 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 0.2792 -2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 -0.5960 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 -2.7171 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -2.6168 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -4.5751 2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -4.2015 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 1.8394 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 1.1222 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 -0.2019 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3327 -1.1543 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6165 -0.0471 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7971 1.4133 2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 1.4259 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7312 0.3014 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3814 -1.9578 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3008 -0.7577 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 -2.2073 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4672 -2.3429 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6619 -1.0419 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8530 -2.2319 2.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2064 -0.6463 4.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8710 1.5850 4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4316 2.4440 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8385 0.8898 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7914 2.6429 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4022 1.8448 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1221 0.0811 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7827 -0.4909 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9286 1.9100 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1048 0.2435 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5244 0.2594 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4320 1.0022 -3.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1534 1.9025 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7014 2.3107 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4796 4.1796 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4918 4.1741 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0164 3.5811 -0.8330 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 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 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 6 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 55126 1 0 M END