HMDB0260640 RDKit 3D PE(14:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 120119 0 0 0 0 0 0 0 0999 V2000 5.1851 6.1067 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 6.5819 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 7.9250 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 8.9514 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0486 8.9481 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 9.4399 -1.3132 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5648 10.7875 -0.8608 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5345 8.6685 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 7.9641 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 7.2329 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5573 6.5184 0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 5.7196 1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 5.4065 2.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 5.9063 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5181 5.6008 4.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0435 4.6867 5.2773 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1708 4.9192 5.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 3.2090 4.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2219 2.4475 5.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 3.1606 4.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 2.0205 3.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 1.1304 2.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 0.2443 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 0.3209 3.8506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 -0.7577 1.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 -1.6778 2.1022 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0001 -3.0279 2.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -2.9776 0.9769 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 -3.8909 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -4.8854 1.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 -3.6464 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -2.6018 -1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -2.3414 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -1.3556 -3.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 -1.4363 -4.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -1.3611 -3.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -1.4711 -4.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -2.6469 -5.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 -3.9965 -5.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -4.4923 -4.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -5.9452 -3.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -6.8247 -4.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -6.8151 -5.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.9747 0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 -2.9743 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -3.5484 0.3766 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0924 -3.5489 1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 -2.6573 -1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -5.1947 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -5.9468 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 -7.4079 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 -8.2186 1.9915 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3825 5.9337 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 6.8744 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2588 5.1296 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 6.5564 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 5.8226 1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 8.0991 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 9.9157 1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 9.7123 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 8.0074 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 9.5945 -2.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 11.2309 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 8.6550 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 7.9723 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 7.4326 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 5.7695 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 5.3272 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 4.7776 3.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 6.6026 2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 6.0559 4.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 4.7471 6.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 4.6741 6.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 2.9729 4.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6158 2.5268 6.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4356 3.9880 3.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 3.7219 4.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 2.3351 3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 1.3333 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 1.5667 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 0.3811 2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4607 -1.6202 3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6817 -2.8608 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 -3.8710 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 -4.5591 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 -3.2769 -0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 -3.1151 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -1.7679 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -3.3107 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 -2.1096 -2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 -1.2093 -4.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 -0.3334 -3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 -2.3638 -5.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 -0.5325 -5.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 -1.8754 -2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 -0.2342 -3.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -1.4104 -4.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 -0.5139 -5.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 -2.4763 -6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 -2.7203 -6.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 -4.7067 -5.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 -4.0873 -4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -4.4310 -4.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 -3.9478 -3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -5.9436 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -6.2316 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -7.8787 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 -6.6342 -5.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 -6.5559 -6.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 -7.8687 -5.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 -6.1098 -5.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -2.3599 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -1.1117 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -1.8816 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6475 -5.5932 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4448 -5.8434 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -7.5129 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -7.8068 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 -8.9629 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 -7.5878 2.7592 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 26 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 6 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 1 17 73 1 0 18 74 1 6 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 1 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 48114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 M END