HMDB0030588 RDKit 3D Sterigmatocystin 36 40 0 0 0 0 0 0 0 0999 V2000 -0.0438 4.4310 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 3.1998 -0.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 2.0015 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 2.0204 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 0.8395 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 -0.3545 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 -0.3758 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -1.5257 0.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 -1.6020 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -2.8435 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.9087 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -1.8047 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -0.5315 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 0.5437 0.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 -0.4782 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.7579 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 1.8361 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 0.7912 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -1.4430 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -1.7736 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -1.5844 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.1323 -0.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 -0.7739 -1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 0.6056 -0.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 4.6109 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 4.5853 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 5.2318 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 2.9537 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5183 -3.6960 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -3.8961 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3683 -1.8581 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 1.4778 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -2.3222 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -2.1225 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -1.7624 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 -1.0969 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 6 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 18 3 1 0 23 19 1 0 24 5 1 0 18 7 2 0 15 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 23 36 1 0 M END