HMDB0033657 RDKit 3D De-O-methylsterigmatocystin 33 37 0 0 0 0 0 0 0 0999 V2000 -2.3304 2.4379 -0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 1.3385 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 0.1692 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 0.1848 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6221 1.3148 0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 -1.0304 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -2.1690 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 -2.1898 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -0.9969 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.0448 0.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 0.0399 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6756 -0.0043 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 1.1516 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 2.3457 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 2.4064 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 3.6191 -0.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.2471 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 0.8169 -0.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 -0.4091 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 -1.2203 -0.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -1.7153 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 -1.6701 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 -1.1144 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3539 2.2203 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6554 -1.0055 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 -3.0968 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -3.0916 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 3.2548 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1331 4.4927 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 -0.3180 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9291 -2.0830 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -1.9872 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -1.8935 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 17 2 1 0 23 19 1 0 9 3 1 0 17 11 1 0 23 12 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 14 28 1 0 16 29 1 0 19 30 1 0 21 31 1 0 22 32 1 0 23 33 1 0 M END