HMDB0008748 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 142141 0 0 0 0 0 0 0 0999 V2000 3.1327 4.1748 3.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 4.7831 2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 3.6849 1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 3.4737 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 4.3105 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 3.5209 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 3.3606 -2.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 3.9680 -3.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 3.1960 -3.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 1.9184 -4.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 0.8805 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 0.1885 -2.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 -1.0477 -2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 -1.9699 -3.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5264 -3.0682 -2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -3.3450 -2.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -2.6775 -3.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 -3.6415 -3.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 -3.9153 -3.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -3.3238 -2.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 -2.5463 -3.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 -1.9751 -1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 -2.5065 -1.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 -0.7887 -1.4735 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -0.0419 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 1.1499 -0.2859 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6964 1.7722 -1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 2.8529 -1.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0065 3.4126 -3.3814 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7011 4.0177 -3.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2171 4.6043 -3.3793 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4088 2.1426 -4.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 2.1279 -5.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 0.9852 -6.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 0.9670 -6.9078 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1253 0.0344 -6.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 0.4391 -8.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 2.2245 -6.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 0.7087 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7076 1.1294 1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 1.9299 1.8621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 0.6754 1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.3407 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -0.7577 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 -1.9811 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8628 -3.1370 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -3.7108 2.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5561 -3.7735 3.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -3.2277 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -4.3045 2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 -4.3065 3.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -3.3139 3.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 -2.0154 4.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -1.5456 5.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 -2.3270 6.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -2.4704 7.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -2.0392 8.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 -1.3428 9.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 0.0325 9.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 1.1550 9.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 1.2231 8.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 1.9661 9.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 3.0690 3.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 4.5431 4.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 4.4122 3.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 5.3274 3.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 5.5105 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 3.0322 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 2.6090 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 4.7540 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 5.2000 0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 3.0406 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 2.7492 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 4.4845 -3.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 4.8515 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 3.7883 -4.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 1.5062 -4.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 1.2003 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 0.2047 -3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 0.8334 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -1.4752 -2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -2.4213 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.5566 -4.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 -3.6839 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 -4.1908 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -2.0952 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -1.9238 -3.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8531 -4.1001 -4.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 -4.6464 -4.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -4.2016 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 -2.8067 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -3.2202 -3.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -1.7050 -3.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.5567 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6281 0.3986 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 1.8602 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 0.9739 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 1.9701 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 3.0925 -6.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 1.9627 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3896 1.0103 -7.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.0454 -5.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 -0.0694 -6.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -0.9747 -6.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 0.4255 -5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 -0.3109 -8.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 -0.1025 -8.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 1.2532 -9.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 2.1300 -7.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4139 2.4461 -5.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 3.0775 -7.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 1.4265 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.0916 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 0.1814 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 -1.0909 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 0.0018 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -2.2414 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 -2.8433 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -3.9608 0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -4.1224 3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 -4.2222 4.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -2.3329 3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -2.9022 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 -5.2176 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -5.2821 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -3.0840 3.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 -3.8019 4.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -1.2989 3.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 -0.5423 5.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 -1.9532 7.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1486 -3.4037 6.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 -2.9820 6.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.2095 8.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 -1.8341 10.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3157 -1.3182 8.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 0.0712 10.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8373 2.0755 9.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 0.2764 7.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4101 1.8832 7.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 2.5471 8.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 2.6943 9.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 1.2300 9.7577 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 1 27 97 1 0 27 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 38111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 60137 1 0 61138 1 0 61139 1 0 62140 1 0 62141 1 0 62142 1 0 M CHG 2 31 -1 35 1 M END