HMDB0037231 RDKit 3D Perillyl acetate 32 32 0 0 0 0 0 0 0 0999 V2000 -3.4816 0.1652 -1.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 -0.1023 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -0.5792 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 0.0622 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -1.2611 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.9729 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -0.0286 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 0.4387 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -0.1596 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 -0.0843 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 -0.7439 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 0.5648 -1.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0408 0.6205 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 1.0429 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 0.0435 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 0.5186 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -1.2057 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2331 -1.1572 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 0.2859 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 0.4673 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0662 -2.0273 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -1.6110 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -1.4961 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 1.5522 1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 0.2041 2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -1.6399 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 -0.0077 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.9446 -2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -0.0818 2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 1.5276 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 2.0549 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 1.2357 1.5045 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 1 0 9 10 1 0 10 11 1 0 10 12 2 0 7 13 1 0 13 14 1 0 14 4 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 M END