HMDB0034299 RDKit 3D Patulin 17 18 0 0 0 0 0 0 0 0999 V2000 3.9169 -0.1847 -0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -0.0126 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -1.0262 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4604 -0.4955 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 0.8870 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 1.5891 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 0.9835 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -0.0461 -0.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 -1.0447 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 -1.7406 0.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 1.1291 0.0868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8799 -2.0391 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 2.6399 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 1.7201 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 0.5614 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 -1.7660 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -1.1546 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 5 11 1 0 11 2 1 0 9 4 1 0 3 12 1 0 6 13 1 0 7 14 1 0 7 15 1 0 9 16 1 0 10 17 1 0 M END