HMDB0038549 RDKit 3D Toralactone 32 34 0 0 0 0 0 0 0 0999 V2000 4.7116 1.8387 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 0.4313 0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -0.0631 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 -1.4162 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 -1.9495 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -3.3301 0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -1.1591 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -1.7033 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -3.0227 0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6831 -0.8010 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -1.2896 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -2.5220 0.2731 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 -0.4453 0.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 0.8351 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 1.7112 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 1.3990 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 0.5449 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 1.0737 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 0.2125 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 0.7588 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 2.2061 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 2.1372 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 2.2834 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 -2.1193 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 -3.9681 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 -3.8344 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 2.7712 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7245 1.5232 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5903 1.4825 -0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 2.4477 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 2.1424 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 1.8249 -0.0620 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 1 0 5 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 3 1 0 19 7 1 0 17 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 6 25 1 0 9 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 16 30 1 0 18 31 1 0 20 32 1 0 M END