HMDB0012423 RDKit 3D PS(20:3(8Z,11Z,14Z)/18:1(9Z)) 134133 0 0 0 0 0 0 0 0999 V2000 3.5168 -8.4157 2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -7.1793 2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 -6.2121 2.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -5.7744 1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -5.0820 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -4.7186 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 -3.5130 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -2.3292 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -1.3875 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.1493 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 0.4135 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 1.5426 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 2.2195 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 2.0134 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 1.7585 2.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 2.9086 3.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 2.6224 4.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 3.7715 5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 3.9296 4.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 2.7519 4.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 1.8145 5.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8026 2.5379 4.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 1.3615 4.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 1.4764 3.6733 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8647 0.4816 4.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1529 0.6933 5.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3134 -0.3855 5.9859 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3129 -0.6239 4.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 -1.8918 6.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1862 0.1699 7.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5625 1.1351 8.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5125 1.4990 9.2013 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7576 2.0023 8.6301 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9116 2.5909 10.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8179 2.4253 10.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5137 3.8438 10.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 1.4091 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3956 2.3799 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 3.5237 1.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 2.0997 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 3.3770 -0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 3.1650 -2.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 2.2796 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 2.0010 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 1.1641 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 1.5123 -4.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 0.4961 -4.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.7644 -5.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 2.0782 -5.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2223 2.1779 -7.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 1.8859 -8.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 0.5125 -8.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -0.5666 -8.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -1.8744 -8.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -3.0716 -8.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -3.2530 -7.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -9.2860 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -8.6971 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -8.1900 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -6.7172 2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 -7.5371 3.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4612 -6.7551 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 -5.3806 3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -6.6700 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3443 -5.0689 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -5.9012 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 -4.3438 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -5.5913 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -3.3708 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -1.9040 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0971 -2.5775 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2088 -1.7639 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.3864 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 0.7938 -2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.4013 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 1.8919 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 3.0924 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 3.0171 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 1.2992 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 0.8353 2.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 1.6437 3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 3.8853 3.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 2.9878 2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8628 1.7043 4.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 2.6013 5.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 3.5248 6.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 4.7042 5.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2215 4.7850 5.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 4.1872 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 1.3004 5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 0.4609 4.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 2.4984 3.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 0.7101 3.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -0.5738 3.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3325 -2.5474 6.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4678 2.0942 7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5631 0.8943 8.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7182 0.5999 9.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6846 3.0528 8.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9159 1.6152 7.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5513 4.5031 9.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 1.2828 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 1.7417 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 4.1258 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 3.8682 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 3.0600 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6219 4.2185 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5837 1.3156 -2.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3692 2.7520 -3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 1.5074 -4.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 2.9811 -4.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 0.1081 -4.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 0.9303 -5.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 2.5375 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 1.3477 -2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -0.5596 -4.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2838 -0.0840 -5.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 2.9196 -5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 2.2655 -5.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1726 1.6368 -7.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 3.2631 -7.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 2.2138 -9.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 2.5705 -7.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 0.5064 -9.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 0.2309 -7.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 -0.5664 -7.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.4524 -9.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -1.7740 -9.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 -1.9824 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 -3.0496 -9.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -3.9606 -8.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -4.3171 -7.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 -2.8937 -8.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -2.6399 -7.0089 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 1 33 99 1 0 33100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END