HMDB0054724 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -4.6307 -1.1108 7.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 -0.3660 6.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 0.9654 6.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5015 2.1308 6.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7292 2.2449 5.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 2.9856 5.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 2.5603 5.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 1.1871 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 1.3071 3.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 0.8323 3.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 0.0969 4.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.7514 4.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1139 0.1186 4.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1881 -1.2203 3.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -2.2815 4.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 -2.6709 5.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8915 -3.1506 5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -4.3304 5.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8675 -5.5137 5.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 -4.1287 3.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8343 -5.0315 2.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -4.1739 1.6321 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9185 -3.4076 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 -2.6996 0.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.9286 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2097 -1.8013 1.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -1.2241 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 -0.9869 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3885 -0.3622 -2.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -0.0613 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 0.5026 -4.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 0.8020 -5.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 1.9638 -6.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 3.2008 -6.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 4.2559 -5.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 4.8009 -4.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 4.4496 -3.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 3.9950 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 4.6033 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 5.8199 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 5.5902 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 5.6719 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 6.0027 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2211 4.8895 -2.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5629 3.5502 -2.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5816 2.5555 -2.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7752 2.5977 -1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -5.0243 0.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -4.8240 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -3.9404 -0.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 -5.6613 -1.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -5.2163 -2.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -5.5375 -2.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 -4.8276 -3.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -5.2167 -3.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 -4.3415 -4.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -2.9676 -4.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 -1.9184 -5.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -0.6110 -4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9827 0.5219 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1796 1.6072 -5.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 1.6709 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 2.8038 -3.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 2.8144 -2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 3.8985 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2907 3.9524 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 5.0391 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -0.4493 7.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2703 -1.5270 8.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -1.9776 6.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0108 -0.3812 5.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 -0.9391 6.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3691 0.9797 7.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8148 3.0529 6.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 1.3353 4.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 2.9452 4.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 4.0175 5.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 3.2037 5.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 0.6339 5.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 0.6194 4.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 1.8684 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 1.0267 2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -0.9669 4.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 0.2083 5.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 1.7738 5.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 0.6102 4.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -1.5035 3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 -1.0548 2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -3.2180 3.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -1.9625 4.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 -1.8303 6.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -3.4784 6.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -3.5959 7.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -2.3936 5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -5.6845 3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -5.6923 2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 -3.4511 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 -2.7901 2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -4.1851 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 -0.1935 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8409 -1.7370 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 -1.8648 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -0.1943 -0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 -1.0639 -3.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 0.5520 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -0.9974 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 0.6843 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 1.2541 -4.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -0.3891 -5.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -0.0285 -6.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 2.0584 -6.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 3.5994 -7.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2429 2.9322 -5.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 4.5792 -6.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 5.5950 -3.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 3.6074 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 5.2887 -3.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 3.0912 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 4.2000 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 6.2910 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 6.5583 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4407 5.3269 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7238 5.4901 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0249 6.8857 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 6.3105 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0786 4.8413 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5144 5.1571 -3.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 3.4714 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 3.2126 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1573 1.5412 -2.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8687 2.8939 -3.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4315 2.9614 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 3.3743 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2778 1.6176 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6043 -5.3579 -2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -6.7226 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -5.6692 -3.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -4.1238 -3.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 -6.6265 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -5.3026 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -5.1916 -4.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -3.7429 -3.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -6.2890 -4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4287 -5.0515 -2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8332 -4.7604 -4.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -4.3911 -5.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -3.0261 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 -2.5854 -3.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 -2.2604 -5.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 -1.8175 -6.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3436 -0.8540 -3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -0.5522 -3.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9601 0.5222 -5.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 2.4496 -5.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 2.0995 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 0.7890 -4.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 2.5970 -2.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 3.7747 -3.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 2.9484 -3.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 1.8090 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 4.8665 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 3.7518 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 4.1587 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 2.9535 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 5.8507 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 5.4216 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 4.6680 1.1123 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 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 2 0 49 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 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 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END