HMDB0268799 RDKit 3D PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 136135 0 0 0 0 0 0 0 0999 V2000 6.6930 -0.8222 -2.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9035 -0.4012 -3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 -1.4786 -3.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5784 -2.2278 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7396 -2.9958 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 -3.7606 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5035 -3.5808 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 -2.5872 1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5233 -1.6396 2.3191 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2371 -2.3290 3.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7966 -0.4668 2.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -0.4731 3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7901 0.6992 3.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4813 0.6330 3.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 1.7286 4.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 1.6550 4.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.4048 4.1270 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8165 0.1161 2.7853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 0.5237 4.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 1.5836 3.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 1.3790 2.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 2.3939 1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 3.4823 1.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 2.2891 1.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 3.3059 0.4448 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5559 3.8900 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 4.8796 0.3139 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 5.5977 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8393 5.4361 1.6751 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7367 6.6275 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6308 5.9175 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 5.3507 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6753 4.5214 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8603 3.2625 -2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6813 2.4729 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8974 1.1735 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8873 0.4942 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -0.7807 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -0.7244 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1415 -2.1196 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -2.2419 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -3.6574 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 -3.8515 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 -3.5630 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -4.4590 -2.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -4.0797 -3.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 2.9022 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 2.4509 -1.7205 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 2.0674 -3.2518 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3532 2.6495 -4.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 2.8099 -3.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 0.4032 -3.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2171 0.0784 -4.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2343 -1.3932 -4.8106 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9961 -1.9153 -5.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -2.2134 -3.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -1.7574 -3.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -1.8570 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -0.6261 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8094 -0.2312 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4378 0.4401 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 0.0498 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6137 -1.0859 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2434 -2.2130 -4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2432 -1.4838 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 -2.9588 -2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9183 -2.4666 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 -3.8136 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2576 -4.5414 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1617 -4.2110 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 -3.0650 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0993 -1.9554 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3072 -1.2130 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 -3.1095 3.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 0.4729 3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -1.3929 2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 1.6011 3.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 -0.3161 3.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 2.6562 4.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 2.5338 4.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -0.4016 4.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 0.8221 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 -0.4734 4.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 0.7333 5.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 1.6473 4.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9189 2.5724 4.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 0.3491 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 1.3665 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 4.1596 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 4.2621 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 3.0632 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3391 7.3377 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 7.1041 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0653 5.2588 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9879 6.7567 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6476 4.8359 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5824 6.1974 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6750 4.2561 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7684 5.0627 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8973 3.6029 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 2.6866 -2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1815 3.0085 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7121 2.1979 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 1.3608 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4337 0.5008 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5323 1.2087 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9675 0.3123 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -1.3005 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5716 -1.4909 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1715 -0.0316 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5363 -0.3853 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 -2.8699 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -2.3617 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 -1.6183 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.8981 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 -3.9553 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -4.3158 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -3.0913 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 -4.8658 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -2.5276 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -3.6913 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -5.5230 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -4.2682 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -4.5086 -3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -2.9788 -3.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -4.4325 -4.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 3.8078 -1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.1360 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 2.2268 -3.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9222 0.5558 -5.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 0.4273 -4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -1.6011 -5.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -2.4001 -5.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 -3.2483 -4.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -2.3095 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 -2.3816 -2.5922 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 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 2 0 28 30 1 0 30 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 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 6 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 1 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 30 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 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 51129 1 0 53130 1 0 53131 1 0 54132 1 6 55133 1 0 56134 1 0 56135 1 0 57136 1 0 M END