HMDB0042062 RDKit 3D TG(14:0/14:0/15:0) 140139 0 0 0 0 0 0 0 0999 V2000 0.7349 1.6609 -1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 1.4365 -1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 2.0504 -3.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 1.7789 -3.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 2.2882 -5.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 3.7143 -5.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 4.6653 -4.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 4.9934 -3.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 5.5126 -2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0258 6.0971 -1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 5.3475 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 4.0945 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 3.6161 1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3533 3.3024 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 2.1829 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 2.2474 -0.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 1.1307 0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 0.0879 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4779 -0.9597 -0.5204 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5897 -1.9904 -1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -3.1850 -1.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 -4.1693 -2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -3.9181 -3.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -5.4493 -2.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 -6.1105 -3.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -5.4031 -4.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 -5.0858 -3.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -4.1996 -2.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -4.1091 -2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 -3.2194 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -3.1133 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 -4.3529 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -5.2559 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -5.9126 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 -6.8427 1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 -6.0357 3.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -1.4018 0.8013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 -0.8188 1.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1156 0.0537 1.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -1.1933 3.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 -0.2218 4.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 0.3265 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 1.2396 5.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 1.9304 5.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 2.8878 4.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 3.6309 4.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9349 2.7592 3.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 1.9979 2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 1.1867 2.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 0.4025 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2199 1.3641 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3615 2.3457 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 2.4602 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 1.8600 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 0.7338 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 0.3218 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 1.7731 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 3.0637 -3.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 1.4376 -3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 0.6503 -3.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0733 2.1102 -2.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 1.6730 -5.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 1.9194 -5.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 3.7695 -6.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 4.0785 -5.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 5.6884 -5.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 4.5106 -5.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7929 5.7130 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3668 4.0674 -2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 4.7362 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 6.3313 -3.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 6.4529 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 7.0885 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 5.1697 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 6.0425 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 3.2949 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 4.2549 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 2.7392 1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9889 4.4151 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 4.1587 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 2.9113 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -0.4178 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 0.4671 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -0.3427 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 -1.5882 -2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6734 -2.3264 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 -6.1109 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 -5.4678 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -6.1995 -3.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 -7.2003 -3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -4.4759 -4.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -6.0026 -5.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -4.6660 -4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 -6.0515 -3.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6679 -3.1139 -2.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 -4.3752 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -3.6036 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 -5.1055 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 -2.1444 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -3.4043 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -2.4328 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 -2.4852 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8532 -4.0599 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 -4.9666 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1413 -6.0417 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 -4.6827 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0486 -6.5867 -0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 -5.2462 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -7.6483 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8268 -7.2939 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -6.5325 4.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -5.8172 3.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 -5.0373 3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -2.2242 3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 -1.3977 3.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -0.7241 5.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 0.6625 4.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 0.8212 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -0.5101 4.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 1.8858 5.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 0.5174 6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 1.1343 5.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 2.5035 6.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 3.6540 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 2.3305 3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 4.2041 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 4.4270 3.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 3.3683 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 1.9908 4.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.3451 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 2.7135 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0494 1.8664 2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 0.4445 3.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 -0.2895 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1822 -0.1785 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 0.7245 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 1.8557 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 3.2398 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 2.7484 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2937 1.9458 0.5322 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 19 37 1 0 37 38 1 0 38 39 2 0 38 40 1 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 48 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 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 18 82 1 0 18 83 1 0 19 84 1 1 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 M END