HMDB0033659 RDKit 3D Dihydrohydroxy-O-methylsterigmatocystin 42 46 0 0 0 0 0 0 0 0999 V2000 5.5927 -0.7122 1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 -0.3786 0.8399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -1.3081 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 -2.6465 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 -3.5411 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 -3.0629 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 -1.7273 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -1.3250 -0.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -0.0581 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 0.3874 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 1.7140 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 2.6286 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 2.1931 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 3.0682 -0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 4.4688 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.8583 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 0.4544 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 1.2578 0.1866 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0111 -0.8690 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 1.8493 -1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0593 0.6613 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7765 0.7271 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 -0.6246 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -0.8193 1.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 -1.0447 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -0.3695 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.0923 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.6391 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7326 -0.8172 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4396 -2.9508 1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -4.5952 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3404 -3.7795 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 3.6750 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 4.6147 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 4.9740 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 4.9367 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7142 0.3809 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3994 -1.1894 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0213 -1.6410 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 -0.6079 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -2.1318 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 -1.1029 -1.8854 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 23 25 1 0 25 26 1 0 19 3 1 0 26 21 1 0 19 7 2 0 16 9 1 0 26 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 12 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 21 37 1 0 23 38 1 0 24 39 1 0 25 40 1 0 25 41 1 0 26 42 1 0 M END