HMDB0035242 RDKit 3D (S,E)-Filbertone 23 22 0 0 0 0 0 0 0 0999 V2000 -3.4136 0.5371 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 -0.7286 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.9502 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 0.0703 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 1.1741 -0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -0.1916 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 -1.3653 -0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6181 1.0245 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.8847 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 0.4236 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2231 1.4211 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 0.7860 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6364 -1.5241 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 -1.9301 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9601 -0.4812 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 -1.3737 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -1.3104 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 -2.3400 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3796 1.2883 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 1.8564 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 0.2852 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5268 1.9191 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 0.5246 1.1663 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 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 6 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END