HMDB0030591 RDKit 3D Dihydro-O-methylsterigmatocystin 41 45 0 0 0 0 0 0 0 0999 V2000 4.2438 3.6749 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 2.9215 0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 1.6339 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 1.0794 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 -0.2125 -1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -0.9197 -1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8166 -0.3694 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 -1.0292 -0.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 -0.5524 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 -1.3005 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -0.7271 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 0.5711 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 1.2829 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 2.5640 1.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 3.2729 1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 0.7445 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 1.5003 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 2.6770 0.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.9378 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -1.6310 0.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 -2.8485 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -3.8610 0.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 -3.7890 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -3.6842 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 -2.6775 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 3.2906 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 4.7348 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 3.6329 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1415 1.6570 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 -0.6688 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -1.9250 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 0.9891 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 4.3684 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 3.0250 1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8055 3.1198 2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -3.0261 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1876 -4.7135 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -2.8844 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 -3.3439 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 -4.6530 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -2.8609 -1.8996 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 14 15 1 0 13 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 19 3 1 0 25 21 1 0 19 7 2 0 16 9 1 0 25 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 12 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 21 36 1 0 23 37 1 0 23 38 1 0 24 39 1 0 24 40 1 0 25 41 1 0 M END