HMDB0029852 RDKit 3D Methylgingerol 50 50 0 0 0 0 0 0 0 0999 V2000 -7.2645 -0.4785 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5772 0.7049 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 1.1507 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2515 0.1228 -0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -0.2745 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -1.2600 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 -1.5719 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 -0.8533 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 0.4107 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 1.3834 0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 0.5628 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 0.3702 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 0.5509 -0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 1.7799 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 1.9783 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5673 0.9505 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 1.1718 0.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5209 2.4317 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -0.2859 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -1.2708 0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -2.5571 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 -0.4650 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6909 -0.2150 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6102 -1.3549 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1221 -0.7891 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3256 0.4796 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2961 1.5516 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 1.5883 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9202 2.0137 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 0.5423 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5738 -0.7869 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7122 -0.7436 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 0.5996 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -2.2176 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.7660 2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -1.6439 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -0.7492 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -0.2252 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 1.5265 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3201 -0.7128 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 0.9776 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 2.6088 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 2.9545 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.4071 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4569 2.6174 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 3.2492 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -2.6423 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -2.8759 0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1117 -3.3327 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 -1.4130 0.1914 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 M END