HMDB0042093 RDKit 3D TG(14:0/15:0/16:0) 146145 0 0 0 0 0 0 0 0999 V2000 -0.5582 4.1528 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 3.4996 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 4.4561 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 3.6792 2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 4.5006 3.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 3.7664 4.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 3.3053 3.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 2.6350 4.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 2.1284 4.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 1.0494 3.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8639 -0.3137 3.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -1.3090 2.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9354 -2.7331 3.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 -3.7417 2.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 -3.7850 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -4.1692 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 -4.4099 1.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 -4.2488 -0.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -4.5335 -1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -3.8581 -1.1460 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1339 -4.5167 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 -3.6210 0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -3.7078 0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0319 -4.6991 1.7686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 -2.6414 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -2.9438 2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -1.8190 2.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -0.4883 2.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -0.3029 3.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -1.0943 4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -1.1389 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.1798 3.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 0.0816 2.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -0.3062 1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -0.4815 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6201 0.6766 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 0.1977 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -4.0567 -2.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -2.9785 -2.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 -1.8968 -1.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 -2.9935 -3.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 -1.7198 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 -1.5405 -4.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 -0.2621 -4.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4863 0.0888 -5.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1792 1.3760 -4.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 1.7666 -5.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 3.0060 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0584 4.1920 -4.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8606 5.3664 -4.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0233 6.5888 -4.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9394 6.3508 -3.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 7.5584 -2.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 7.1841 -1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 4.3892 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 3.4336 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 5.0359 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 2.5843 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 3.1367 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 5.3301 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 4.7445 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 3.3202 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 2.7933 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 4.7412 3.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 5.4864 3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 4.3454 5.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 2.8680 4.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 4.2778 3.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 2.7311 2.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8866 3.4184 5.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 1.8904 5.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 3.0508 4.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 1.8377 5.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5501 0.8996 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 1.3762 2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 -0.5789 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 -0.2283 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 -1.2879 3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 -1.0159 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -2.9281 4.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -2.7852 3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 -3.7344 2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2295 -4.7538 2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -2.8534 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7997 -4.5851 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -4.3831 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -5.6867 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -2.8333 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 -5.4858 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 -4.6787 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 -1.6611 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -2.6553 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6049 -3.8173 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -3.3081 3.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 -2.1132 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 -1.7577 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 0.2373 2.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -0.1070 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -0.4106 4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 0.8160 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 -0.5831 5.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 -2.1097 4.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 -1.7916 2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 -1.7190 4.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 0.6251 4.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 0.8538 3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.7172 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 0.9917 3.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 0.3535 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 -1.3204 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 -0.6161 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 -1.3878 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 1.6042 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 0.8273 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -0.9150 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 0.5758 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 0.4787 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2869 -3.1020 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -3.8391 -3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -0.8222 -3.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 -1.8118 -2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 -1.4406 -5.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 -2.4275 -4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 0.5866 -4.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 -0.3004 -3.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1406 0.1749 -6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -0.7203 -5.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5747 1.2528 -3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4046 2.1873 -4.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8561 2.0161 -6.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 0.9825 -5.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 3.2931 -5.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 2.8203 -4.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 4.4442 -5.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 3.9240 -4.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6349 5.6428 -5.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4228 5.1063 -3.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6156 7.4634 -3.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5248 6.8502 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2809 5.5499 -3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 6.0564 -2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5275 7.8692 -3.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7256 8.3853 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 6.3205 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 6.9330 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9121 8.0238 -1.2150 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 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 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 20 38 1 0 38 39 1 0 39 40 2 0 39 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 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 0 19 87 1 0 20 88 1 1 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 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 37117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 54146 1 0 M END