HMDB0042098 RDKit 3D TG(14:0/15:0/14:1(9Z)) 138137 0 0 0 0 0 0 0 0999 V2000 0.1037 1.8256 -11.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 1.8505 -9.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 2.0430 -9.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 2.0586 -7.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 2.2434 -7.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 1.3834 -6.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4682 0.1276 -6.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 0.1345 -4.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 -1.1305 -3.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.0036 -2.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 -2.1897 -1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -1.9605 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -3.1362 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 -2.9194 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 -3.5577 2.6955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -1.9970 2.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -1.6827 4.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 -0.5385 4.1397 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4855 0.0961 5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 0.5124 5.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 1.1460 7.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.3535 7.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 1.5731 7.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 3.0174 7.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1299 3.4112 7.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 2.5512 6.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 2.6688 5.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 4.0684 4.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 4.1724 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 3.8460 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 3.9614 1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 3.6736 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 4.6545 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 4.2756 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 2.8876 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.0085 3.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -0.6365 2.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 0.1545 1.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 -1.1594 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -1.8075 3.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7181 -2.3418 2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 -3.3926 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9701 -3.8787 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 -4.9605 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1008 -5.4695 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0777 -4.5875 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7691 -3.7886 -2.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7308 -2.7438 -2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4561 -1.9465 -3.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4173 -0.9048 -2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 -1.5538 -2.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7153 -2.4907 -3.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 1.3558 -11.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 2.8576 -11.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 1.2599 -11.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 2.6722 -9.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 0.9204 -9.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 3.0690 -9.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 1.3060 -9.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 3.0235 -7.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 1.2784 -7.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 3.1762 -7.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 1.5608 -6.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -0.1945 -6.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -0.6833 -6.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 0.1736 -4.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 1.0539 -4.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -1.3820 -4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -1.9754 -4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -0.8221 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.1186 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -3.0685 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -2.3973 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -0.9979 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -1.8682 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 -4.0327 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 -3.2904 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -2.5525 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -1.3621 4.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8504 0.1946 3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 -0.6581 6.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2347 0.9290 5.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 1.4996 8.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 0.8862 7.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 3.1664 6.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 3.6608 7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2295 3.2287 8.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 4.4769 7.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 1.5314 7.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1574 2.9819 7.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 2.0062 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 2.2830 4.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 4.7747 5.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 4.3872 5.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 5.2298 3.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0808 3.5464 2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 2.8098 3.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 4.6263 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 3.1314 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 4.9341 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 3.5910 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 2.6611 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 5.6689 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 4.4958 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 4.9850 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 4.3455 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 2.4895 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 2.1980 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 2.7782 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 -1.8325 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1817 -0.2724 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 -2.6069 3.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -1.0282 3.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -1.5334 2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 -2.7631 3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 -4.2994 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 -3.1467 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6357 -3.0605 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5215 -4.3684 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0318 -4.8225 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4332 -5.8808 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8365 -6.2849 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6429 -6.0658 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9885 -5.2525 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5384 -3.9311 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5088 -4.4428 -3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 -3.2303 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -3.1282 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1619 -2.0399 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3839 -1.4276 -3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1713 -2.6310 -4.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7726 -0.1724 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 -0.3330 -3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -0.7415 -2.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 -2.0628 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -2.0480 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -3.5192 -3.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 -2.5512 -3.6303 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 18 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 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 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 0 17 79 1 0 18 80 1 6 19 81 1 0 19 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 35109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 52138 1 0 M END