HMDB0294809 RDKit 3D DG(12:0/20:3(6,8,11)-OH(5)/0:0) 103102 0 0 0 0 0 0 0 0999 V2000 14.9426 0.2890 -2.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9937 0.7866 -1.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7740 -0.3585 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8524 -0.0234 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5188 0.3771 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5302 0.7342 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2497 -0.3821 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 -1.6127 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4005 -1.3535 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 -1.5738 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 -1.3252 -1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -0.8069 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 -1.4428 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 -0.8682 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 -1.4137 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 -0.7504 1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -0.5940 2.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 -1.5181 2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.8453 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 -0.6582 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5296 0.3148 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 0.1835 2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 1.4668 0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 2.4108 1.0541 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0061 3.7238 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 4.1596 -0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0826 2.7446 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9324 1.6580 0.3087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 0.5019 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 0.2894 -1.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 -0.5257 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2349 0.1501 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5975 1.1145 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8351 1.8965 -0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1036 1.1620 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5165 0.2867 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8232 -0.4318 -1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7200 -1.3173 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0133 -2.0697 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1303 -1.0980 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8333 -0.2052 1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3582 -0.1167 -3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5104 1.1612 -3.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5839 -0.4945 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4133 1.6774 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 1.0454 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2707 -1.1770 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7398 -0.7291 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2476 0.7898 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7594 -0.9786 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 -0.4180 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6571 1.3125 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8643 1.6148 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 1.0128 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1273 -0.6793 2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4708 -0.0304 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3758 -2.0753 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 -2.3710 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5370 -0.9777 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1356 -1.9523 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1286 -0.5459 -2.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 -2.2415 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 0.1117 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -2.3596 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 0.0778 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -2.3292 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 0.2481 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0977 0.2813 2.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -2.4383 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -0.9026 2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -2.5350 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 -2.3361 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 -0.9300 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 -0.1409 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 2.0868 2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6967 4.4691 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 3.5620 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 3.4055 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 3.1364 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6483 3.5427 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0437 -1.0852 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 -1.2794 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0378 0.7294 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9605 -0.6453 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5903 0.5936 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7689 1.8451 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6652 2.5677 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9273 2.6110 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9133 1.9500 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0970 0.6756 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 -0.5371 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5952 0.8092 -2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9773 -1.0659 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6701 0.2866 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3639 -0.8226 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9053 -2.0657 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2103 -2.7233 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8456 -2.6603 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0476 -1.7115 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3730 -0.4542 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9089 0.3657 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7767 -0.7925 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6627 0.5571 1.4596 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 1 25 76 1 0 25 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 41103 1 0 M END