HMDB0278083 RDKit 3D PI(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 151151 0 0 0 0 0 0 0 0999 V2000 -3.3406 -7.4273 4.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -8.4712 4.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 -9.7135 3.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9107 -10.1927 2.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 -9.5819 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 -10.4964 2.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -10.7811 3.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -9.9368 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 -8.8110 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 -8.1870 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 -7.0473 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4746 -6.3317 -1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -5.0231 -0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -3.9263 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 -3.8617 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5571 -3.2445 -2.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 -2.1351 -3.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 -1.2599 -4.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -1.0708 -5.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.1357 -5.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 1.3051 -4.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 2.4255 -5.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7899 3.5890 -4.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 4.0098 -4.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 4.1766 -3.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 5.2435 -3.0890 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4609 4.9778 -1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 4.9385 -1.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 4.6675 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 4.4570 0.6647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 4.6376 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 4.1152 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 2.6693 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9606 2.1921 2.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 0.6738 2.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 0.1559 4.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6769 -0.5000 4.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -0.7734 3.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -0.1592 4.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 -0.7944 4.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 -2.2192 4.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 -2.8461 3.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.3346 2.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 -0.9021 2.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -0.7255 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -0.1807 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 0.3440 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 1.8403 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 2.4104 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6352 3.8814 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 4.4952 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 6.4773 -3.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 6.1922 -3.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 7.4519 -4.2200 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2966 7.3622 -5.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 8.9733 -3.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6444 7.2884 -3.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 6.6706 -4.3123 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7945 5.2787 -3.7484 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9720 4.3978 -4.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0581 5.2221 -2.9387 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9473 4.1924 -2.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3171 6.4971 -2.1652 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4717 6.3266 -1.4209 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4491 7.6976 -3.0717 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7026 8.7283 -2.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8503 7.4288 -4.4392 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5840 8.6482 -5.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -6.9713 3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -7.9042 4.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 -6.7031 5.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -8.0457 4.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -8.7273 5.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 -10.2606 4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 -11.1421 2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -8.6249 2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -9.4882 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -11.4495 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 -11.2546 4.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -10.4933 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 -8.2264 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -8.6629 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -6.5437 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 -6.9279 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -6.3241 -2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 -5.0439 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -2.9587 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -3.0937 -3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -4.7349 -3.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 -3.7733 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -1.8076 -2.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -1.7454 -4.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -0.3085 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 -1.8845 -6.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 0.2615 -6.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 1.2360 -3.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 1.7548 -4.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 2.0097 -5.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 2.7047 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 5.4663 -3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 3.9563 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 5.7110 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 4.1137 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 5.6838 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 4.7284 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 4.1711 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 2.4630 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 2.0508 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 2.7259 3.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9922 2.3766 3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 0.5493 2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 0.1909 2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 0.3118 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 -0.8372 5.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -0.5118 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 -1.9151 3.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 0.9452 4.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 -0.2220 5.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 -2.7862 4.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 -2.5464 5.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -3.9588 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -3.0205 2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7824 -0.6837 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -0.1701 3.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -1.0675 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 -0.0726 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -0.1029 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 0.2121 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 1.9653 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 2.3920 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 2.3136 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 1.8808 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 4.4222 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 4.0330 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 3.7891 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 4.9653 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 5.3297 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 7.2894 -2.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 6.8782 -4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 9.6104 -4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 6.5405 -5.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 4.9490 -3.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 3.5376 -4.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 4.9916 -3.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8037 3.7081 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 6.6246 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 6.0381 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4814 8.0226 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 8.4299 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5374 6.8154 -5.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1925 9.3680 -4.7493 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 6 8 1 0 8 9 2 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 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 67 58 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 56140 1 0 58141 1 6 59142 1 1 60143 1 0 61144 1 6 62145 1 0 63146 1 1 64147 1 0 65148 1 6 66149 1 0 67150 1 6 68151 1 0 M END