HMDB0041813 RDKit 3D 6-Demethylgriseofulvin 38 40 0 0 0 0 0 0 0 0999 V2000 -4.1676 0.0485 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 0.6758 1.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 0.5103 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 0.6069 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 0.4312 -2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 1.0976 -3.4329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 -0.5308 -2.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 -0.8508 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -2.1548 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 0.2357 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 1.3736 -0.7556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 1.2211 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 1.7894 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 2.9605 -2.1002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 1.4871 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 2.0870 -0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 0.5703 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 -0.0275 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -0.9502 2.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -1.2693 2.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 0.3028 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2282 -0.1238 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 -0.6756 1.9731 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -1.0685 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0353 0.3625 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3687 0.2763 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 0.8097 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 -0.0430 -3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -1.4874 -3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -0.9685 -1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -2.7347 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 -2.8300 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -1.9753 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.7529 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 0.3246 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -2.0742 3.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 -1.6117 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -0.3667 3.2987 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 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 22 23 2 0 10 3 1 0 21 12 1 0 22 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 16 34 1 0 17 35 1 0 20 36 1 0 20 37 1 0 20 38 1 0 M END