HMDB0009669 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 139138 0 0 0 0 0 0 0 0999 V2000 4.2643 6.6633 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 6.3520 -4.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 5.7471 -5.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 4.5503 -5.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 3.6546 -5.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 3.3656 -6.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 2.1541 -7.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 0.9022 -6.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 0.0717 -6.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 -0.3718 -5.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 -0.0664 -4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.6988 -3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 0.3269 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -0.8669 -1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9813 -1.9787 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4774 -3.1895 -2.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.5804 -2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -4.1085 -3.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -4.4353 -3.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -4.9237 -4.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9744 -5.1954 -4.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 -3.9316 -4.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -2.8586 -4.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 -3.7606 -3.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4451 -2.4112 -3.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7607 -2.0233 -2.2765 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4727 -2.8493 -1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8773 -2.5764 0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6112 -3.4361 1.3091 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1324 -3.3625 1.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 -5.0707 1.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 -2.7990 2.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3951 -1.4201 2.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0157 -0.8815 4.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 0.5469 4.2942 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9653 -0.6794 -1.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 0.0574 -1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7402 -0.6233 -1.5055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8319 1.4377 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 1.5910 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 0.9868 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.2149 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 0.5657 2.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 0.8593 4.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -0.0433 5.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -1.4406 4.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 -2.4712 5.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -2.3784 5.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 -1.1330 5.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 -1.0386 4.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 -0.9903 5.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -1.0199 6.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 0.1410 7.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 1.2376 6.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 1.7426 5.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 3.0799 5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9262 3.6485 4.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 4.9445 4.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 4.7530 4.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1682 7.7417 -2.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 6.3860 -2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 6.1264 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 7.3795 -4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 5.8382 -4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 6.3602 -5.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 4.2177 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 4.0415 -4.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 2.7135 -5.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 4.1855 -7.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 1.9868 -8.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 0.3142 -7.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 0.9785 -5.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 -0.2095 -7.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -0.9736 -5.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 0.5882 -4.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -0.9580 -3.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.7006 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2695 1.0917 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 -1.2303 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -0.5225 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0591 -1.8764 -1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -3.9730 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -4.4748 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6554 -2.8707 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -3.3268 -4.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0564 -5.0270 -3.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 -5.2892 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -3.6167 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 -5.8374 -4.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2691 -4.1476 -5.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 -6.0392 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 -5.4601 -5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5409 -2.5131 -3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2678 -1.7433 -4.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 -2.3571 -2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3552 -3.9207 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5276 -2.5145 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -5.6272 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -0.9837 2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -1.1466 2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6628 -1.3360 5.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9847 -1.1796 4.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1787 0.8236 4.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5846 0.9466 5.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 2.0027 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 1.9655 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 2.6606 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3676 1.1255 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 1.4885 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1293 -0.0954 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 2.2957 2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 0.8363 2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 1.1792 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 -0.4700 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 1.9259 4.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 0.3317 6.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -1.6208 3.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -1.7505 5.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9068 -3.5476 4.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -3.3570 5.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 -1.2328 6.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 -0.2031 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4103 -1.0117 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -0.9800 4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 -1.3359 7.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0291 -1.8964 6.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 0.0182 8.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 1.9829 7.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 1.1511 4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 2.1034 4.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 3.7896 5.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 2.9056 6.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 2.8953 3.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 3.8188 3.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 5.3509 3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 5.6861 4.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 4.9593 5.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 3.7194 4.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 5.4394 4.3569 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 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M END