HMDB0266324 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)+=O(5)/24:0) 140139 0 0 0 0 0 0 0 0999 V2000 -20.4333 3.6834 -1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0280 3.9308 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0428 3.4500 -1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6240 3.6562 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3198 2.9016 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9300 3.1414 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9762 2.2551 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2810 0.8228 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4755 0.2322 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6856 -0.7814 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5143 -1.4494 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9264 -2.8549 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1329 -3.8629 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7629 -3.6372 1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0153 -4.6953 1.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6661 -4.7240 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1553 -5.9443 2.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7198 -3.6985 2.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8416 -2.3814 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7955 -2.3649 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4899 -2.9293 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4612 -4.1056 -0.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 -2.1815 -0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0731 -2.6128 -0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 -1.5112 -0.7401 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4209 -0.2454 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 0.7494 -1.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 2.1983 -1.9667 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4273 3.3124 -1.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 2.3657 -3.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 2.2931 -2.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 -1.9768 -1.1947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 -2.2881 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0516 -2.1260 0.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.7636 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 -1.7386 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.2922 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -0.3107 1.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 -0.5249 1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -0.6113 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3168 -0.8572 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 0.2209 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 -0.1369 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2681 0.8455 1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 2.2276 1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9881 2.2638 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3872 1.6769 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2673 2.4214 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.8166 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6111 0.3947 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9511 -0.2702 1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6908 -0.2882 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0392 -0.9913 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7374 -0.9767 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0110 0.3969 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7250 0.2391 -2.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0015 1.6499 -3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4038 3.4656 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.8283 2.7868 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.0896 4.5550 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9394 4.9990 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8802 3.3866 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1575 2.3606 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2182 4.0416 -2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9012 3.4458 -2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5197 4.7402 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9300 3.4839 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7310 1.9138 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6458 4.1974 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9473 2.4955 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3822 0.6784 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1341 0.3082 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5675 0.6873 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1231 -1.1552 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3918 -1.4129 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9229 -0.9211 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9579 -3.1181 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5259 -4.9024 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3826 -2.6651 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5246 -5.6894 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8443 -3.4805 3.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6345 -4.0718 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8766 -1.7618 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6026 -1.7582 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8363 -1.3220 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6356 -2.8936 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -2.8715 -2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 -3.4647 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 -1.3939 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6523 -0.4082 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 0.1187 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 3.3424 -3.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 2.0830 -3.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -3.7320 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -2.9887 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 -2.3243 -0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 -0.9317 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -2.2270 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.7983 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -0.0607 2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 0.6851 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 0.3386 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 -1.4309 2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -1.3556 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 0.4072 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -1.8684 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 -0.8795 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 0.2197 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 1.2247 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 -0.2306 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5514 -1.1206 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2854 0.3992 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8868 0.9487 3.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8538 2.8819 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3104 2.6113 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 1.6183 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9517 3.2883 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8108 1.7930 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 0.6082 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 2.5136 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 3.4588 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1886 2.4073 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1349 1.9241 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9829 -0.2582 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 0.3518 2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6223 0.2604 2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8693 -1.3021 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9195 0.7656 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1423 -0.8164 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6445 -0.5041 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8748 -2.0343 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1343 -1.5160 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7287 -1.4769 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0846 0.9773 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7138 0.9356 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6332 -0.3625 -2.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0512 -0.2627 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2223 2.3646 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9381 1.9757 -2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0783 1.7099 -4.2330 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 2 0 15 16 1 0 16 17 2 0 16 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 25 32 1 0 32 33 1 0 33 34 2 0 33 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 46 47 1 0 47 48 1 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 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 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 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 31 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 57140 1 0 M END