HMDB0029565 RDKit 3D Demethoxyfumitremorgin C 49 53 0 0 0 0 0 0 0 0999 V2000 -1.5083 4.0923 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 3.0818 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 3.5273 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 1.7970 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 0.8183 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -0.4777 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 -0.6638 0.5248 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -1.9969 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -2.6969 1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 -4.0753 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 -4.7250 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -4.0096 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -2.6351 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -1.6980 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 -1.8554 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7097 -0.5340 -1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -0.6297 -1.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -1.3147 -2.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 0.0021 -1.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6007 -0.2033 -1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 -0.0095 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 1.2497 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 1.1762 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4991 1.1477 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 1.7283 1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 0.4937 -0.5213 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 4.3029 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 3.6829 2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 5.0526 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 3.0813 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 4.6089 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 3.1785 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 1.5020 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 1.2034 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 0.0477 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1426 -2.2096 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1479 -4.6396 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1059 -5.7934 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -4.4997 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9822 -2.2211 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 -2.5901 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -0.3926 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -1.2081 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 0.5656 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1776 -0.8426 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 0.0854 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 2.1073 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 1.2964 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 2.0928 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 5 1 0 14 6 2 0 26 16 1 0 13 8 1 0 23 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 M END