HMDB0045256 RDKit 3D TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -1.4258 8.5917 5.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 8.8527 4.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 8.8735 3.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 8.0468 2.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 6.9849 2.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 7.0922 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 6.1248 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 4.8789 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 4.6591 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 3.6902 -1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 2.6226 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 2.5762 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 1.5964 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 0.3990 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.8594 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 -2.1358 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -3.3205 0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -3.2628 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -2.5562 -1.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 -3.9660 -0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5641 -4.0370 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 -2.7618 -1.1947 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7819 -2.0827 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7388 -1.6607 0.9205 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0345 -0.9931 2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 -0.7857 2.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -0.5438 3.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 0.1964 4.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 0.5427 5.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 1.4084 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 1.5847 5.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 2.3805 5.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 1.8360 4.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 2.5603 4.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 1.8773 2.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 2.3764 2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 1.9209 1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 0.4818 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5515 -0.2180 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 -1.7005 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -2.4844 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2471 -3.9496 1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 -4.7663 2.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4945 -1.8696 -1.9677 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9308 -1.4248 -3.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1189 -1.9480 -3.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 -0.5540 -4.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.1054 -4.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 -0.6637 -4.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 -1.6599 -5.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -2.2457 -5.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -3.3357 -6.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -4.5299 -6.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4858 -5.0926 -5.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 -5.7051 -5.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 -5.3631 -5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 -4.2682 -4.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -4.8953 -3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6025 -4.5704 -3.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 -3.6501 -4.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8675 -2.4390 -4.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 -1.9075 -3.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8011 -2.4459 -1.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -2.7432 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8797 -3.3039 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2362 -3.5587 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0223 -2.2844 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 9.0779 6.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 9.0070 5.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 7.5210 6.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 9.9587 4.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 8.3342 4.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 9.6306 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 8.1321 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 7.1117 3.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 5.9918 2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 8.0036 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 6.2647 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 5.1422 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 4.0812 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 5.4106 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 3.6664 -2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 2.7235 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 1.6120 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 3.3947 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 1.7072 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 0.4625 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 0.4310 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 -0.8459 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -0.8824 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 -2.2590 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.2734 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.2636 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -4.2855 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -4.8717 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 -4.3835 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -3.0195 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3993 -1.2194 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4582 -2.7829 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 -1.3052 3.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 0.2338 2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 1.1647 3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -0.4000 4.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 1.0085 6.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9983 -0.4395 5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 2.3795 4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 0.8159 3.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 0.6157 6.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 2.1533 6.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 2.3256 6.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 3.4455 5.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 0.7660 4.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 2.0354 3.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 2.4313 4.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 3.6033 3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 2.1227 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 0.7871 3.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 2.1780 3.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9887 3.5208 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 2.4301 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 2.3946 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5342 0.3503 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3496 0.0061 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 0.0685 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.1881 -0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 -2.0387 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -1.8678 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -2.4306 2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -2.1855 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0285 -4.0660 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 -4.3302 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 -5.6227 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 -4.0930 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8728 -5.1507 2.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -1.0306 -5.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2387 0.2941 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 0.7435 -3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 0.9195 -5.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -1.1506 -3.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.0765 -4.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5079 -2.5550 -5.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -1.2620 -6.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 -1.4432 -6.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 -2.5331 -4.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -3.0780 -7.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -5.2777 -7.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 -5.9042 -4.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -4.2987 -4.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -6.5787 -6.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -5.9081 -6.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -3.8419 -4.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 -3.4686 -5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -5.6042 -2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2717 -5.0802 -3.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9971 -4.3083 -5.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -3.4370 -5.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2421 -1.8335 -5.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 -0.9306 -3.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3845 -1.5361 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1366 -3.2621 -1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7022 -1.8269 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7063 -3.4947 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3064 -2.6575 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4052 -4.3169 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0126 -3.9460 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7881 -4.3757 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4126 -1.3946 0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9328 -2.3868 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3986 -2.1110 2.0489 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 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 22 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 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 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END