HMDB0286604 RDKit 3D PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 139139 0 0 0 0 0 0 0 0999 V2000 -5.5447 2.4744 2.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0232 2.6581 2.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 3.2394 1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 2.6114 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 1.2926 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 1.4987 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 2.4605 2.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2767 1.1487 2.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 1.2230 1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 0.3246 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.7220 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 2.1024 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 2.2292 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 2.5776 -1.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4027 2.8708 -3.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 1.9158 -4.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0788 1.0431 -4.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 0.8867 -4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 -0.5205 -4.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -1.3436 -4.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -0.9999 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -1.1603 -5.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1202 -2.5118 -5.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -3.0146 -5.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -3.3465 -4.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8107 -4.6781 -4.2119 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9193 -4.8062 -2.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 -3.9130 -2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -3.8500 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -4.6083 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 -2.9037 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -2.9760 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 -1.9781 1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 -1.8693 3.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -1.4986 3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 -1.3483 5.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 -0.2312 5.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -0.0058 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 1.1561 7.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 2.3445 6.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8637 3.4310 7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 4.5916 7.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 5.0159 8.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 6.2608 7.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7851 5.9108 5.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 7.1034 5.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 6.7434 3.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 -5.6199 -4.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -5.4953 -6.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8951 -6.5556 -6.3532 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3874 -7.9529 -6.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -6.4506 -7.9761 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1958 -6.2559 -5.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -6.2018 -5.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -5.9260 -5.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -4.6684 -4.3436 N 0 0 0 0 0 4 0 0 0 0 0 0 6.5756 -4.3436 -3.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 -4.7989 -3.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 -3.5615 -5.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7995 1.9813 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0304 3.4670 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8913 1.8854 3.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 3.4433 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.7374 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8771 4.2386 0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 3.1788 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 0.8004 1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 0.5938 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 1.8771 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0308 0.4718 2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 2.2477 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 0.9173 2.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -0.7616 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -0.0926 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9473 2.8502 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 2.4666 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 2.0293 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 2.6488 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 3.8849 -3.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 3.0861 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 1.9899 -4.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 0.3969 -5.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 1.4949 -3.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 1.1801 -5.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0867 -0.8313 -3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -2.3838 -4.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.7375 -6.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 -0.0272 -6.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -0.5347 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -0.7851 -6.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -4.9994 -4.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 -4.6624 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 -5.8406 -2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 -1.8660 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 -3.2215 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -3.9950 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -2.8014 1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 -2.2951 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -0.9706 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8484 -2.7898 3.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -1.0853 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -0.5461 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -2.3167 3.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 -1.0444 5.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 -2.2908 5.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 -0.6038 5.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 0.6534 5.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0031 -0.8527 7.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 1.2641 8.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 2.5917 7.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 2.2031 5.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9108 3.2780 6.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4085 5.3414 7.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 5.3981 9.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 4.3127 8.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6022 7.0622 7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 6.6125 7.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 5.6997 5.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 5.0068 5.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 7.5003 5.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 7.9500 5.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0721 7.2208 2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 7.1207 3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 5.6394 3.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -6.6748 -4.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -5.3769 -4.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -5.3938 -6.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -7.1867 -6.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 -6.7099 -4.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -5.9286 -5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2807 -3.7049 -4.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2501 -3.7659 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 -5.2465 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5109 -4.1803 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -4.3278 -3.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -5.8650 -3.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -3.3632 -5.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5074 -3.7287 -6.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 -2.6324 -4.8230 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 8 6 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 8 70 1 0 9 71 1 0 9 72 1 0 10 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 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END