HMDB0264511 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/19:2(10Z,13Z)) 123123 0 0 0 0 0 0 0 0999 V2000 -14.8128 -2.4696 2.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9765 -1.7908 1.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4593 -0.5809 2.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5404 0.5334 2.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8758 1.2478 1.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9658 0.5045 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6734 0.7540 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9494 1.8494 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8370 1.3001 2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5695 1.6441 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2249 2.6129 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3597 2.1509 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9541 1.8083 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6439 0.7352 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1196 0.4430 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6542 0.0001 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 -1.2739 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 -1.6223 -2.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 -1.7926 -1.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 -2.8310 -1.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 -0.7874 -2.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.8054 -2.5500 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4478 0.1765 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 0.0611 -1.9901 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 0.6355 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 1.3445 -0.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 0.3856 -1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 0.2451 -0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 -0.0252 -1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 1.1069 -2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3054 1.7752 -2.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 1.6301 -1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 0.5312 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5247 0.6026 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4943 1.8473 1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6592 2.2069 2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8847 2.3890 1.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8156 1.5324 2.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 0.1994 2.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8326 -0.0893 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0683 -0.3364 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2666 -0.3692 1.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9700 -1.6972 1.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4989 -2.2052 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5936 -1.4725 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3593 -0.0892 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 -0.8355 -3.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 -1.9817 -4.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 -2.0868 -6.0713 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1299 -2.3004 -7.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 -3.4353 -6.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.7004 -6.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8394 -1.9952 2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9900 -2.5446 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7659 -3.5102 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8324 -1.7853 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8414 -2.5627 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0621 -0.8503 3.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2907 -0.1570 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1501 1.3253 3.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7333 0.2740 3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5155 2.2488 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7705 1.5353 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3281 -0.3329 0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0766 0.1337 0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7245 2.6466 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6860 2.2155 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0767 0.5793 3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8257 1.1780 2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0456 3.2622 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5714 3.4269 1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4822 2.8503 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8405 1.1911 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5222 1.5168 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4203 2.7835 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7906 1.0891 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2338 -0.1550 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 1.3675 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0067 -0.3938 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 0.7999 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 -0.2823 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 -2.1194 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4336 -1.1994 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -2.5550 -2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -0.8544 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 -1.8489 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 -0.0926 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 1.2142 -1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -0.5675 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.2627 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 1.1236 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 -0.6323 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 -0.9262 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 -0.3484 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5236 1.4484 -3.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4361 2.6484 -2.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5775 2.6381 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4052 1.5552 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 -0.4969 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 -0.3299 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 1.7325 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1266 2.7184 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4488 3.2084 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4527 2.0863 3.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6297 -0.5536 3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -0.0486 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0924 -0.1187 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 -0.5464 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 -0.1809 2.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 0.4374 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8485 -1.5804 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 -2.4432 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9206 -3.2437 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -2.4587 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4541 -1.4311 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0452 -2.1210 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3193 0.1522 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 0.6321 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9762 0.0654 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -0.9511 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 0.0868 -4.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 -3.1206 -6.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0559 -0.1943 -5.6489 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 22 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 38 36 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 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 46119 1 0 47120 1 0 47121 1 0 51122 1 0 52123 1 0 M END