HMDB0268015 RDKit 3D PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-18:0) 126125 0 0 0 0 0 0 0 0999 V2000 18.1104 -1.0726 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9295 -1.7916 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5384 -1.0693 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3756 -0.5390 -0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 -0.4767 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1248 -1.0198 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3285 -2.0186 1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3935 -2.7244 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9556 -2.5830 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8415 -3.1204 2.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6235 -1.1441 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4635 -0.6510 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1959 0.7537 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 1.3188 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9385 0.7336 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 -0.6588 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 -1.3435 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -0.7625 1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.8345 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 0.2322 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 1.5723 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 2.4750 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 2.8012 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 3.9826 -0.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 1.9836 -1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 2.4246 -2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 2.8025 -1.2756 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5563 1.6075 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1269 0.6627 -1.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 -0.7327 -0.4819 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4057 -1.3908 0.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 -1.8006 -1.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7791 -0.4423 0.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 3.3611 -1.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 4.7014 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 5.3395 -0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 5.3877 -2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 4.5242 -2.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 3.8740 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6826 3.0636 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4155 2.3943 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6594 1.3944 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5403 0.7880 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7557 0.1165 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4055 -0.9833 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6544 -1.5748 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5704 -2.1516 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7612 -2.7337 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7167 -3.3511 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2240 -2.3025 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2048 -2.9685 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6803 -1.8836 3.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3349 -3.5922 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4598 -1.8083 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7394 -0.1419 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9140 -0.9845 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4525 -2.7515 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2207 -2.0550 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3463 -0.9834 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3092 -0.0262 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9400 0.6600 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2459 -0.7596 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7658 -0.5463 1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4132 -2.3214 2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3736 -2.4347 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5673 -3.8342 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3071 -3.2069 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5620 -3.7527 2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3570 -0.4381 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 -1.3810 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0302 1.4132 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1319 2.4676 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7146 1.2370 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 1.2226 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3049 -1.2566 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 -2.3909 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -1.5486 1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 0.1362 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.8091 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 0.0594 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 1.6525 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 2.0702 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 3.4039 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 2.0116 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 3.2918 -3.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 1.5828 -2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 3.5722 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 1.9227 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 1.1402 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 -1.9572 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -0.4294 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 5.9829 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0587 6.1795 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 3.7920 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 5.1866 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8436 4.7091 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 3.2725 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3268 2.3002 -2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3887 3.7784 -2.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9351 3.1475 -0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2685 1.8201 -1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8272 1.9158 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2313 0.5742 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 0.0354 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8984 1.5328 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2743 -0.3691 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4591 0.8170 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6852 -0.6716 -1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8798 -1.8360 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4042 -2.3358 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2112 -0.7769 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9073 -1.3000 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1154 -2.9059 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4448 -3.4803 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3316 -1.9061 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1736 -4.1326 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5667 -3.8536 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4066 -1.9026 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6706 -1.4760 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6763 -3.7561 2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7985 -1.9110 3.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3124 -2.0132 4.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3822 -0.8609 2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3232 -3.3270 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3053 -4.6918 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3799 -3.1409 0.3015 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 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 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 1 28 88 1 0 28 89 1 0 32 90 1 0 33 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END