HMDB0287091 RDKit 3D PC(18:2(9Z,11E)+=O(13)/20:1(11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -4.3520 4.9435 4.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5255 3.7419 5.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9944 2.5719 4.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2922 2.8336 4.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 1.7146 3.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 1.1620 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6096 2.1050 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8433 1.2711 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3482 2.0709 -1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 2.1280 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 1.3997 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.4341 -1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 -0.3495 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 0.5103 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 -0.2187 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -1.0167 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 -1.7647 1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5997 -2.6717 2.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 -2.3638 4.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -1.9385 4.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 -2.5123 5.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.9761 3.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -0.4178 3.9586 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9193 -0.7325 2.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 -2.1155 2.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -2.7199 1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 -2.0033 0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -4.1573 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -4.6653 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 -4.6170 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8891 -5.4726 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 -5.6283 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -6.2258 -2.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 -6.4717 -2.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7242 -7.0521 -4.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -6.5186 -5.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -5.3144 -5.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 -4.8723 -6.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 -3.6999 -6.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -3.4010 -7.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -2.8034 -5.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7804 -1.7266 -5.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.7936 -4.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 0.0341 -3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -0.6918 -2.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 1.0443 4.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.6954 3.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 3.3196 3.5569 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3484 3.8700 4.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 3.5394 4.6161 O 0 0 0 0 0 1 0 0 0 0 0 0 0.2290 4.1898 2.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 5.0694 2.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 5.8654 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 5.1018 -0.0239 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8439 5.8345 -0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 3.8663 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 4.7694 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 4.6466 3.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 5.5884 4.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 5.5497 5.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 3.4771 5.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1517 3.9362 6.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 2.4502 3.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 1.6434 5.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 3.7756 3.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0423 3.0383 4.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 0.8616 3.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8768 1.9995 2.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6468 0.3462 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1779 0.6030 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 2.4921 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 2.9536 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6772 0.6255 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1771 0.5616 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1181 2.6553 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 2.7539 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 2.1886 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 0.9697 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -0.2510 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0219 1.0484 -2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -1.1251 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 -0.9742 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 1.1343 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 1.2336 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 0.4564 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -0.9628 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -1.6697 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 -0.1908 1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -2.3551 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -1.0484 2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -3.5460 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6183 -3.2344 3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -1.5939 4.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -3.2782 4.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -0.8722 4.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 -0.0929 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 -0.4412 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 -4.7834 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -4.2672 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 -5.7445 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 -4.1678 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -3.6093 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 -5.0758 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -5.0411 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -6.4979 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -6.2863 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 -4.6408 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 -5.6094 -2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -7.2220 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 -5.4965 -2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 -7.1281 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 -7.9835 -4.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -7.0720 -6.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 -4.7650 -4.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -5.4822 -7.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3357 -3.4223 -4.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 -2.3887 -4.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3436 -1.1457 -6.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 -2.2482 -6.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0165 -0.0788 -5.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9176 -1.3504 -3.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 0.7416 -4.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 0.7039 -3.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -1.7231 -2.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 -0.1635 -1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 -0.5941 -3.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 1.5740 4.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 1.2465 5.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 5.8002 3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 4.5750 2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 6.5270 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 6.5528 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 6.7635 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 5.1817 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 5.9912 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 3.1048 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5903 3.9706 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 3.4288 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 4.2640 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 5.6913 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 4.0947 -0.1557 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 1 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 2 0 36 37 1 0 37 38 2 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 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 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 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M CHG 2 50 -1 54 1 M END