HMDB0115166 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 125124 0 0 0 0 0 0 0 0999 V2000 18.0546 1.6592 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6122 1.1590 1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8485 2.2646 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4388 2.0095 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0366 1.0529 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 -0.3458 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5476 -1.3248 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 -1.2811 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6078 -2.0994 -1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8823 -1.8020 -2.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -0.5772 -3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2678 0.6221 -2.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1670 1.1507 -1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 0.5955 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 0.2722 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 0.8086 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 1.7447 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 1.4411 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1749 0.3536 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 -0.8793 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.2862 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -1.5798 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -1.5393 -0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -1.9182 1.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7601 -2.2453 1.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7664 -1.3465 1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -1.9791 1.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -1.5139 2.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2184 -0.4326 2.6941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -2.2384 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7525 -1.5304 2.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0832 -0.3911 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 0.7020 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3464 1.9294 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4922 2.4975 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6415 1.7221 2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8869 1.8861 2.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2569 2.9467 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9516 2.3967 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1598 2.7436 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9901 3.6937 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2760 3.3892 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9132 2.2773 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4524 1.0029 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3739 0.4524 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8583 -0.8604 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4997 -0.8179 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4427 0.0855 -3.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -3.6998 1.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 -4.5545 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -5.6803 0.1565 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8265 -6.7735 -0.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9203 -5.1111 -1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -6.4839 1.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6378 0.7534 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4251 2.0930 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0335 2.3772 2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1710 0.8063 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7905 0.2707 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3663 2.5616 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9683 3.2059 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 3.0322 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8278 1.8261 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9196 1.2058 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 1.4739 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4660 -0.6123 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9723 -2.3494 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7399 -1.8294 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6091 -0.3138 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9815 -3.1754 -1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6899 -2.6605 -3.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6880 -0.3222 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 -0.7966 -3.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2096 1.1663 -2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 2.0798 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 1.4091 -2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 -0.3155 -2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -0.4434 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 0.4672 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7657 2.2064 -1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1891 2.6847 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 2.3038 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 0.3684 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7238 -1.0697 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -1.7187 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 -0.5729 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -2.2596 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -2.2227 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 -0.4153 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 -1.1491 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 -2.7064 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4588 -3.1409 2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 -1.2389 3.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6236 -2.2410 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0271 -0.9193 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1623 -0.1429 1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1604 0.4698 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 2.6195 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0475 2.8427 3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7386 3.5448 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4763 0.9106 3.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6511 1.2309 2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2729 3.3230 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6778 3.8273 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4273 1.6497 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5566 2.2780 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3872 4.1734 1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0944 4.6626 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8367 4.2602 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9421 2.2732 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6635 0.2544 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3953 0.8337 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5932 1.1552 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3701 0.2452 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7812 -1.5848 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5623 -1.3566 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2666 -1.8500 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7061 -0.5618 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3835 0.4130 -3.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0796 0.9636 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7569 -0.5098 -3.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 -3.6647 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -3.7110 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 -4.4036 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 -6.5316 0.5358 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 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 2 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 53124 1 0 54125 1 0 M END