HMDB0288680 RDKit 3D PC(24:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 161161 0 0 0 0 0 0 0 0999 V2000 -7.8997 4.9389 -5.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7737 4.4993 -4.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2854 4.0481 -2.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9715 4.6017 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 5.7228 -1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8332 5.5938 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 5.2141 0.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0118 4.5251 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 3.0330 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2205 2.6778 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9154 1.8738 1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 1.2226 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 1.6722 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.8629 4.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.5796 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 -0.7855 5.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 -1.6461 6.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -2.6204 6.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 -3.9544 6.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 -4.8514 5.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6009 -4.7534 4.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1871 -4.8198 3.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 -4.8575 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 -5.0566 2.4383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 -4.7041 0.6701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -4.8106 -0.2456 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9219 -3.4223 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 -3.2387 -1.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -3.5570 -2.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -4.1195 -3.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -3.3107 -3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.4848 -2.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -1.0653 -2.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 -0.4341 -1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 1.0001 -1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9448 1.2778 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 0.6053 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 0.9808 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 0.3266 2.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 0.7099 3.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 2.1769 3.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 2.5860 4.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 2.1329 4.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 2.5483 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 4.0609 4.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 4.6347 3.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8017 4.1592 2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 4.8012 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7101 4.3993 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 4.7975 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0788 4.3109 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5021 4.6441 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9256 3.9975 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -5.8137 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 -5.3591 -1.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 -6.3675 -3.2258 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3434 -7.2391 -2.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -7.3560 -3.7993 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8626 -5.4229 -4.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3425 -6.1836 -5.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9069 -5.2239 -6.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 -5.9152 -7.7136 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5251 -6.9268 -8.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -4.9592 -8.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7353 -6.5090 -7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8472 6.0345 -5.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7626 4.5285 -6.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8916 4.5806 -4.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3224 3.5889 -4.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9789 5.2189 -4.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9829 3.1742 -2.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4577 4.1679 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6634 6.5785 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8302 6.2532 -2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 6.6283 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 4.7667 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3221 2.4649 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 2.7559 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2452 3.1073 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 1.6276 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 0.1637 1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 1.5373 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 2.7385 3.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 1.1720 5.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -0.9088 3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 -1.1316 4.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 -0.1210 5.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -1.6755 6.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.4798 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 -2.5283 7.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 -4.1227 6.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3392 -5.7921 5.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 -5.6155 4.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 -3.8436 4.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8344 -3.9214 2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8369 -5.7025 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -5.1049 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 -3.1295 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 -2.6925 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -4.2629 -3.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -2.7601 -4.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5434 -2.4023 -3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -3.0120 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 -1.0185 -1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 -0.5099 -3.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -1.0027 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2498 -0.5037 -2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 1.6375 -2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 1.4196 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 2.3793 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 0.9529 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.4893 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 0.9282 1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5881 2.0999 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.6039 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 0.4907 3.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -0.7858 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 0.2112 4.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 0.3009 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 2.4929 4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9001 2.7477 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 2.1502 5.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 3.6917 4.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 2.5600 3.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 1.0115 3.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 2.0688 4.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 2.2375 5.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 4.4492 5.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 4.3522 5.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8325 5.7451 3.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 4.5633 2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 4.4943 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 3.0694 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 4.4826 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5877 5.9054 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6595 3.2840 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 4.8341 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 4.3285 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1169 5.9010 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7694 4.6931 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 3.2056 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1413 4.2133 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 5.7477 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2358 3.1701 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 4.7305 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9896 3.6457 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -6.7945 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -6.0535 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 -6.7575 -5.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -6.9331 -5.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7101 -4.5959 -6.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 -4.5623 -6.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 -7.3550 -9.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 -7.7690 -7.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5343 -6.4478 -8.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -5.4576 -9.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 -4.3841 -9.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4676 -4.2141 -8.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7371 -6.9923 -6.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -7.2334 -8.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4825 -5.6882 -7.4495 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 1 0 7 8 1 0 8 9 1 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 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 2 0 29 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 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 62 64 1 0 62 65 1 0 8 6 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 63153 1 0 63154 1 0 63155 1 0 64156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M CHG 2 58 -1 62 1 M END