HMDB0286314 RDKit 3D PC(20:3(8Z,11Z,14Z)-O(5,6)/18:1(11Z)) 139139 0 0 0 0 0 0 0 0999 V2000 -2.9554 -2.8507 -5.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -1.4632 -6.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0064 -0.5857 -5.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 -0.3828 -3.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 0.5373 -3.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4421 0.8361 -1.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 1.9670 -1.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2634 3.2911 -1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5556 3.4428 -3.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 3.8923 -4.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 4.3485 -4.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 4.5401 -2.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 3.9172 -2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 2.8370 -3.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 1.5839 -2.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 0.4940 -3.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 1.0694 -2.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 0.6336 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -0.3909 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -1.7913 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 -1.7967 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.2230 -2.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 -1.2431 -0.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -1.0793 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -0.4618 1.2062 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4301 -0.7546 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 -2.0601 1.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2645 -2.5332 1.5574 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6125 -3.8591 0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3087 -1.3716 0.8759 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5883 -2.6495 3.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 -3.4100 3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -3.5488 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -4.1853 5.6045 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.2317 -3.2982 5.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -5.3836 4.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0643 -4.5271 7.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 0.8080 1.4568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 1.1911 2.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 0.2046 2.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1039 2.5017 2.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 3.0414 1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 4.3862 2.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 5.2707 2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 4.8779 2.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 3.9268 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 4.5623 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 3.7176 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2644 3.2802 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7123 2.4515 -2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0869 1.2074 -2.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1015 0.5143 -0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4803 0.0102 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -0.9559 -1.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 -2.1920 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0233 -2.9726 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 -3.4541 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 -3.2425 -5.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -3.5682 -6.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 -2.7898 -4.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 -0.9936 -6.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 -1.5940 -7.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 0.3765 -5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0268 -1.0539 -5.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -1.3547 -3.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 0.0700 -3.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8836 1.2450 -3.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -0.1750 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 -0.0632 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 1.9643 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 3.8767 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3765 3.8313 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6157 3.2066 -3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1463 3.9153 -5.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 3.6991 -4.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 5.3556 -4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 5.3576 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 4.1937 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 3.1004 -3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 2.4947 -4.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 1.4038 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 1.8448 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 0.5276 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7251 1.6133 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 -0.0400 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 -0.3872 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 -2.3789 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -2.3100 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 -2.0437 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -0.3958 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -1.1080 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1606 -0.0592 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -0.6954 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 -2.8717 3.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -4.4006 3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0509 -4.2450 5.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 -2.6083 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -3.1699 6.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9221 -3.7391 4.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8628 -2.3080 5.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8461 -5.1845 3.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2736 -5.8381 4.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -6.1210 5.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8133 -5.6198 7.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0672 -4.3774 7.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3461 -3.9056 7.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 2.6010 3.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 3.3094 2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 3.0608 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 2.3580 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 4.2958 3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 4.9736 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 5.6700 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 6.2478 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 4.4262 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 5.7721 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 2.9477 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 3.7960 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 5.5143 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 4.9171 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 2.8453 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 4.4065 -2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8383 4.2625 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 2.8830 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7192 2.9323 -3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 0.6370 -3.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 1.0032 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 -0.4462 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1608 0.8246 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3009 -0.5838 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 -0.4101 -2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0705 -1.2306 -1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -2.8810 -2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 -1.9402 -2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -2.4122 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -3.8732 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1179 -4.4633 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0763 -3.5162 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 -2.7998 0.9731 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 2 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 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 1 0 49 50 1 0 50 51 2 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 17 15 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 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 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 48122 1 0 49123 1 0 49124 1 0 50125 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