HMDB0004586 RDKit 3D Perillic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -2.4548 -1.6810 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 -0.4582 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 0.5925 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.0191 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 -1.1818 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -0.7189 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.2950 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 0.8173 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 1.7718 1.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 0.2758 -0.5437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 0.8956 1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 1.0557 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.9341 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 -2.5104 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 0.8880 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 1.4433 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 0.0866 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 0.4337 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -1.7978 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.8144 0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -1.1480 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8381 -0.5820 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 0.3198 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 1.9098 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 0.9824 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 2.0785 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 4 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 M END