HMDB0273104 RDKit 3D PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:3(6Z,9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 7.3102 -7.6155 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -7.2505 -2.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -8.2518 -2.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 -8.0651 -3.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 -6.7404 -3.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 -6.3084 -4.6323 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8441 -7.1887 -5.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -4.8923 -4.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 -4.4166 -4.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -3.0041 -4.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 -2.4720 -3.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 -3.2957 -2.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 -2.7743 -1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -3.6013 -1.1392 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1085 -4.4869 -0.3542 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 -2.6749 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -3.4255 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -3.4180 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 -2.6511 2.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 -1.8047 3.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5483 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 0.4313 3.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 1.1262 4.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 2.1846 4.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 2.6607 5.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 2.8041 2.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 3.8443 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6471 4.6540 2.0043 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4729 5.5138 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 4.8344 0.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 6.0013 0.1352 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9363 6.9687 -0.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 6.9102 1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 5.3223 -0.5219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8081 4.8436 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9949 4.2863 -0.3553 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5281 3.2614 -1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0252 3.7019 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 2.7053 1.3555 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4765 1.9809 2.4469 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.8879 2.3671 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2873 0.2995 2.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1364 2.5731 3.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 4.0705 0.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 4.4907 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 5.4709 1.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 4.1359 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0827 2.8395 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 1.7610 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0517 0.5840 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -0.1923 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -1.4649 -1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -2.4363 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -3.3836 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 -3.6178 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -2.9645 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 -1.8431 2.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 -0.6600 2.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -0.4464 1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 0.5698 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 0.7850 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 1.7847 -1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 1.3708 -2.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3369 -7.2404 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -8.7178 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6382 -7.1163 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8782 -7.2794 -2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5835 -6.2079 -2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -9.2988 -2.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -8.9543 -3.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -6.7734 -2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -5.9825 -2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -6.4306 -5.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 -7.9819 -4.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -4.2021 -5.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 -5.1498 -3.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 -2.3274 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -1.4019 -3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -4.3465 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -1.7243 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 -4.1387 -1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 -5.3695 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -1.9930 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 -2.0937 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3482 -4.0806 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4189 -4.0525 2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -2.1257 2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -3.4260 3.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -2.4095 4.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 -0.0697 4.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 -0.1636 2.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 1.1482 2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 1.5172 5.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 0.2726 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 3.4798 3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 4.5194 3.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 5.4648 2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 5.9115 2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 6.3620 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 6.2265 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 5.6443 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4165 4.0485 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4639 5.1004 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 3.1499 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8912 3.3462 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3958 4.4733 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5599 -0.1471 3.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 2.3699 4.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 4.9044 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 4.5131 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 2.4720 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 2.9494 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 2.2557 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 1.5609 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 0.9559 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -0.0867 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 0.4267 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 -1.8046 -2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4233 -3.0204 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 -1.9380 0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -4.0987 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 -4.4932 0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -2.8527 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -3.7859 2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -1.9100 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 0.1751 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 0.1713 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -1.2523 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 1.5091 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 0.2546 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 1.1502 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 -0.1773 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 1.8390 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 2.7951 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1022 0.7550 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.7651 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6354 2.2910 -2.7594 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 28 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 6 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 6 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 1 29 98 1 0 29 99 1 0 33100 1 0 35101 1 0 35102 1 0 36103 1 6 37104 1 0 38105 1 0 38106 1 0 42107 1 0 43108 1 0 47109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 55122 1 0 56123 1 0 56124 1 0 57125 1 0 58126 1 0 59127 1 0 59128 1 0 60129 1 0 60130 1 0 61131 1 0 61132 1 0 62133 1 0 62134 1 0 63135 1 0 63136 1 0 63137 1 0 M END