HMDB0266139 RDKit 3D PA(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 126125 0 0 0 0 0 0 0 0999 V2000 13.8802 1.3106 -4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6823 1.5723 -2.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9745 1.3252 -1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1013 0.4538 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0672 -0.4047 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9783 -0.2386 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 0.1541 1.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6746 0.5850 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 0.6921 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2960 0.0229 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 -0.9618 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0581 -0.4163 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -0.0935 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 -0.2426 2.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 -1.0944 3.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -1.8351 3.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 -2.0716 2.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -3.5157 1.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -3.5741 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -2.6484 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 -2.6492 -1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -2.1769 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -2.0424 -1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8733 -1.8789 0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -1.4403 0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -0.1189 0.6602 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6287 0.3386 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7693 1.7185 1.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 2.4414 2.9056 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8409 3.5007 3.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 1.3131 4.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 3.2030 2.2674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 0.1257 -0.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 1.1820 -1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 2.0437 -0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7513 1.4745 -2.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 1.9761 -2.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9129 0.8504 -1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 1.1049 -1.4363 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4092 2.1641 -0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 1.3182 -2.6345 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8928 2.5712 -3.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 0.9363 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4498 0.6270 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3062 0.5945 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3202 0.2339 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6248 -0.1496 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5959 -0.5148 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9149 -0.9066 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8697 -1.2737 1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2326 -1.6841 0.6149 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.9196 -2.1542 1.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8944 -0.4373 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2571 -0.6703 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2874 -0.0234 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1786 0.9968 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7308 2.2941 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0796 1.8457 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8616 0.2431 -4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8471 1.7835 -4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8730 0.8989 -2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 2.6334 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8605 1.9129 -2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1476 0.3632 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4937 -1.4786 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1370 -0.3460 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9349 -0.5074 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2755 0.1656 2.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5587 1.6377 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -0.0202 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8171 1.4665 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0536 0.1655 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4903 -1.9328 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6937 -1.2221 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6821 -0.2790 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.3824 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7586 -0.4552 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 0.8566 3.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3337 -1.0844 4.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -2.3953 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0004 -1.8462 2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 -1.4391 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -4.2150 2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -3.7725 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -3.3706 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 -4.6579 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 -2.8448 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 -1.5967 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -1.8946 -2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 -3.6487 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -1.3976 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 -2.2407 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 0.6640 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 0.1764 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -0.1452 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 1.3913 4.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 4.0772 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 0.5688 -3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 2.2428 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 2.4111 -3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 2.8216 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -0.0159 -2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 0.5993 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6448 0.1256 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 1.7591 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 0.6314 -3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 3.3095 -2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9691 0.8694 -3.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 0.3493 -2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4287 0.8570 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1469 0.2305 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9176 -0.1752 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3455 -0.5016 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1607 -0.9118 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5967 -1.2562 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1841 -2.4389 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6372 -1.5562 2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2827 -0.2837 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6851 0.4518 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4935 -1.4184 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2966 -0.2353 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9150 0.7849 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2063 1.2510 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7106 2.0738 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9879 2.6313 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8138 3.0441 1.2747 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 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 31 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 1 40105 1 0 41106 1 6 42107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 48113 1 0 49114 1 0 50115 1 0 51116 1 6 52117 1 0 53118 1 0 53119 1 0 54120 1 0 55121 1 0 56122 1 0 56123 1 0 57124 1 0 57125 1 0 57126 1 0 M END