HMDB0038677 RDKit 3D Alfafuran 29 31 0 0 0 0 0 0 0 0999 V2000 4.3533 0.0844 -2.7929 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 0.0418 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -0.0239 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -0.0655 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -0.1313 1.9257 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 -0.0439 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 0.0219 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 0.0455 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.1093 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 0.1106 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0986 0.1603 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 0.1477 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4936 0.1991 -0.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 0.0841 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 0.0671 2.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 0.0331 1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 0.0463 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 0.0099 1.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 0.0637 -1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 0.9399 -3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -0.0423 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 -1.0212 2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 -0.0789 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 0.1530 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 0.2106 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3225 0.1921 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 0.1009 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -0.0169 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 0.1147 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 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 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 7 19 2 0 19 2 1 0 18 8 1 0 17 10 1 0 1 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 9 24 1 0 11 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 19 29 1 0 M END