HMDB0030592 RDKit 3D 5,6-Dimethoxysterigmatocystin 44 48 0 0 0 0 0 0 0 0999 V2000 6.0956 -0.7813 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8065 -1.2928 0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 -0.4769 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 0.8520 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 1.7084 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9571 3.0053 0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 1.1691 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 1.9121 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 3.1307 0.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 1.3243 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 2.0930 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 3.4676 0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 4.2218 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 1.4873 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 0.1290 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 -0.6222 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 -0.0246 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 -0.7289 -0.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 -0.1846 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 -0.9834 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -2.3446 -0.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -2.6949 -1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -1.9938 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -2.7796 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1368 -3.2740 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7726 -2.9075 -0.6344 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -1.8131 -1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 -0.6547 -0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 -0.1764 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 -0.1453 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 -1.6516 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 1.2760 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 3.8024 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 4.3936 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 3.7420 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 5.1871 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 2.1087 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -2.9936 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -1.8800 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -3.5152 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -2.5119 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 -2.9284 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5437 -3.8912 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 -1.7598 -2.2715 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 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 16 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 20 3 1 0 27 23 1 0 19 7 1 0 17 10 1 0 28 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 6 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 22 38 1 0 22 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 27 44 1 0 M END