HMDB0286414 RDKit 3D PC(20:3(5Z,8Z,14Z)-O(11S,12R)/18:1(9Z)) 139139 0 0 0 0 0 0 0 0999 V2000 6.8787 2.1717 3.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 3.5840 3.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 4.6008 2.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 4.5693 1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 5.6225 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5468 5.7223 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 5.4674 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0593 5.0466 -2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 3.6752 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 3.5824 -3.9144 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4697 3.0060 -2.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5152 1.4860 -2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9237 1.0763 -2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4781 0.2722 -3.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9169 -0.4549 -4.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 -0.2893 -4.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 -1.2412 -4.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 -2.6004 -4.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 -3.1644 -3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7547 -3.1409 -3.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 -1.8538 -2.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 -0.7840 -3.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -1.7526 -2.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.4253 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 -0.3416 -1.9563 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9024 -0.9606 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -0.6584 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -1.2279 1.5960 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5407 -0.5525 2.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -2.8974 1.6009 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.0327 -0.7903 2.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 0.3852 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8242 0.7433 2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 1.9224 1.6500 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9806 2.7874 2.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 2.6650 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5296 1.5299 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.9371 -2.6455 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -0.1991 -2.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 1.0300 -2.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -0.8103 -3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -1.6053 -2.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -2.2030 -3.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 -2.9911 -2.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5742 -3.5932 -2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1571 -4.4107 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3219 -3.5887 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2047 -2.4525 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 -2.2849 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -3.1712 1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6913 -2.3693 2.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1699 -3.2425 4.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1056 -2.6823 5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8064 -1.4981 5.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2627 -1.4073 6.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0288 -1.4613 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6859 -0.2851 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 1.4410 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7665 2.0344 2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 2.0481 2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6581 3.8117 4.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8589 3.6173 4.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6776 4.4754 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 5.6229 3.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7492 4.8419 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8655 3.6017 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 6.6012 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4741 5.5419 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5495 6.0338 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 5.5933 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2948 4.9163 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 5.7905 -2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 3.0747 -2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2724 3.5600 -2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 1.3985 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 1.0186 -3.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6086 1.5132 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6047 0.0991 -3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5850 -0.1438 -5.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2526 -1.5256 -4.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 0.7156 -5.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 -0.8855 -5.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9092 -2.9269 -4.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 -3.2424 -5.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7476 -2.8287 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -4.2817 -3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 -3.7205 -3.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 -3.7778 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 0.1185 -3.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.0954 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 0.7529 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -2.0184 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -0.4756 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 0.1849 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7367 1.1672 1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7148 0.8072 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -0.1565 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 3.1460 3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 2.2737 3.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3766 3.6895 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2286 2.0177 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 3.5641 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 2.9327 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 1.0528 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1359 2.4068 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 0.7875 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 0.0071 -4.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -1.4458 -4.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -0.8664 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 -2.4109 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3525 -2.9108 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 -1.3882 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -3.7814 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4328 -2.2928 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3323 -2.8406 -2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -4.2854 -3.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 -5.2888 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1721 -4.7246 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3102 -3.2697 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6678 -4.3098 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0133 -1.6639 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8815 -1.3682 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1121 -4.0337 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8091 -3.5014 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6282 -2.0828 3.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3723 -1.5380 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4221 -4.1321 4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1150 -3.7745 3.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9845 -2.6421 5.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4385 -3.5438 6.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4416 -0.5389 5.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4238 -1.3154 6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5362 -0.3955 6.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6951 -2.1179 6.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1390 -1.3485 5.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8869 -2.3918 4.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9791 -0.4761 2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3584 0.5685 4.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6631 0.0892 3.9610 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 11 9 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 3 64 1 0 4 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 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 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 24 89 1 0 24 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 30 -1 34 1 M END