HMDB0284504 RDKit 3D PE(24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 148147 0 0 0 0 0 0 0 0999 V2000 -16.7651 8.0116 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6817 6.4875 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1203 5.9526 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3188 5.2356 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9529 4.9294 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1959 5.9799 -0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9008 3.6859 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4337 2.5751 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6374 1.5202 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1208 0.4234 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4095 -0.6266 1.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0055 -0.8187 1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1392 -0.9626 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1466 -0.1434 2.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7494 1.0092 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4943 1.1586 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4682 0.3919 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -0.9549 1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2033 -1.9022 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0923 -1.5729 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 -1.6736 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -2.0256 1.5327 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -1.3485 -0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -1.3726 -0.1164 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6192 -0.0549 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -0.2743 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5029 -0.8974 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 -1.3722 1.8916 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -0.9973 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -2.1470 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 -2.5044 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -1.3857 -1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 -1.7828 -2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 -2.2948 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 -2.6725 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 -3.2400 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8393 -2.4474 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 -1.1397 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0225 -1.3002 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5813 -0.0679 -3.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8169 0.5584 -2.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 0.8585 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6670 -0.3546 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1562 0.0199 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 0.8988 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9335 1.2308 2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1792 2.0945 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9269 3.3939 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2083 4.1661 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8037 4.4279 2.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0926 5.2372 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 -2.3689 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 -3.6443 -0.7903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 -4.8103 -1.7241 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3397 -4.3216 -3.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 -5.0913 -1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 -6.2332 -1.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6845 -5.8574 -1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 -7.0840 -1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 -7.8450 -0.1718 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.5735 8.3188 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0301 8.4725 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7884 8.3611 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4852 6.2049 -1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7662 6.1009 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1499 6.1548 0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7445 4.8700 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4090 4.6227 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3015 5.6541 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5229 3.7430 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8492 3.5185 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4165 2.5654 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6596 1.5283 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1538 0.4336 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8520 -1.4343 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7308 -0.0821 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9607 -1.8084 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3668 -1.8243 3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6278 -0.3958 3.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8076 1.9149 2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6151 1.2898 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3677 2.1696 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5839 0.7829 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3306 -0.9495 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0877 -1.2948 2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1702 -1.9371 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0696 -2.9470 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1121 -2.2729 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2235 -0.5730 -0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 -1.7318 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 0.5882 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 0.4674 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -1.2257 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -0.0559 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 -1.9208 -1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 -3.0831 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 -2.8428 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -3.3351 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 -1.1339 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.4454 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -0.8623 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 -2.4829 -2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0207 -1.5368 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4026 -3.1891 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3312 -3.4144 -2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 -1.7676 -2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 -4.2244 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6707 -3.5209 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 -3.0442 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3527 -2.2090 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -0.5073 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8309 -0.5473 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3051 -1.8025 -3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 -2.0941 -2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 -0.2056 -4.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7503 0.7476 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8470 1.5825 -3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7271 0.0446 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5402 1.4809 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1793 1.5361 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -1.1734 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6399 -0.7486 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 0.5289 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 -0.9224 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1159 0.4899 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 1.9146 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1792 1.6858 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2989 0.2666 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 1.4980 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5195 2.3013 2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1664 3.9968 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5227 3.2796 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9373 3.4908 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0613 5.1012 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1392 3.4309 2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0543 4.9273 3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7087 4.9993 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8029 6.3142 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6200 4.8796 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.3894 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 -2.1187 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -5.7914 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 -5.3043 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8138 -5.1960 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4557 -7.6905 -2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -6.7640 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 -7.3295 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 -8.7837 -0.4597 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 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 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 2 0 27 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 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 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 1 25 91 1 0 25 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 56142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 M END