HMDB0008572 RDKit 3D PC(22:1(13Z)/20:3(5Z,8Z,11Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -1.2768 3.6219 -4.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 3.2667 -5.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 2.1284 -5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 2.2269 -4.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 2.2885 -3.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 1.0321 -2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 1.3263 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 0.1747 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -0.9938 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 -1.5821 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 -1.0857 1.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 -0.7394 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -1.3291 3.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -2.3965 4.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 -3.0999 4.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 -3.1245 4.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3587 -2.4696 5.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -1.4141 5.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 -1.7067 5.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7454 -1.9152 3.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8071 -1.6876 3.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8864 -2.4157 3.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0292 -2.6539 1.9648 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9620 -1.6079 1.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2807 -0.3570 1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8449 0.8327 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 0.7329 0.5753 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 2.1594 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9007 2.1657 1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 3.5566 1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 3.6756 2.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 2.7813 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 2.8693 2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 4.2613 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 4.4542 2.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 3.5547 2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 3.8286 2.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 2.8944 2.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1121 3.1675 2.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 3.5204 2.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 3.7113 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 2.7856 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 2.6896 -1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 2.1970 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 2.9543 -2.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 2.4252 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 0.9829 -3.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 0.7780 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 -4.0384 1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 -4.8255 1.8594 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 -6.4166 1.4000 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3621 -6.6087 -0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 -7.1987 2.0904 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8709 -7.1902 2.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 -6.8621 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -7.5706 1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -7.3388 1.1338 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0037 -8.4352 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -7.2372 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -6.1173 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 3.9851 -5.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 4.5138 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 2.7921 -4.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 4.2057 -6.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9044 3.0908 -6.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 2.0146 -6.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 1.1486 -5.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.4261 -4.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 3.1699 -4.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 3.1590 -2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 2.3007 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.8806 -3.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9026 0.1465 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 2.2612 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 1.5370 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 -0.0267 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 0.5215 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 -1.4353 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.4919 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -1.7431 2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8967 -0.1454 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 0.0735 2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9755 -0.9187 4.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -2.0400 5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -3.2421 4.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6857 -3.7303 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 -3.7530 4.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -2.1029 6.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 -3.3028 6.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 -0.9957 7.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9492 -0.5186 5.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2075 -2.6110 5.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 -0.8667 5.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 -2.3623 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9005 -1.5160 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1515 -1.8043 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9063 2.8820 1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0696 2.6102 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9809 1.7802 2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2424 1.5155 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 4.2191 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2741 3.9645 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 4.7247 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 3.4907 3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 2.9393 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 1.7288 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 2.1300 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5844 2.6518 3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 4.5496 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 4.9576 2.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 4.2401 4.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 5.5213 2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 3.7665 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 2.5173 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 4.8549 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 3.6185 4.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.8875 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 1.8779 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 3.0459 3.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0965 3.7046 2.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 3.7233 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 4.7624 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 3.0040 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0261 1.7189 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0955 3.6762 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4999 1.9971 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 1.1043 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2279 2.0502 -3.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 2.7778 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6043 4.0163 -2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 2.5356 -4.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 3.0150 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 0.5930 -4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 0.3934 -3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 0.3190 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 0.1311 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 1.7305 -1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2566 -4.4293 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2885 -4.0073 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 -5.7706 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -7.2516 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7628 -8.6667 1.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 -7.3031 2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -8.2846 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 -9.3759 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -8.4755 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -8.0963 2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -7.1451 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 -6.3306 2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 -6.2329 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 -5.2936 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -5.9306 -0.2265 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 1 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 2 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 2 0 26 28 1 0 28 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 2 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 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 58144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M CHG 2 53 -1 57 1 M END