HMDB0031045 RDKit 3D Avocadene 4-acetate 59 58 0 0 0 0 0 0 0 0999 V2000 7.9156 0.8350 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 1.4489 1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 0.6321 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 1.1906 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 0.4808 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 -0.9401 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -1.8489 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 -1.6601 -2.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 -0.4515 -2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.2466 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -1.3861 -1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -1.2169 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 0.0501 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 0.0984 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 1.1705 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 2.5773 1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 2.9026 2.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 3.2003 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 2.7351 -1.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4319 -1.1425 0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 -2.0965 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0444 -3.3772 1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -1.8573 2.7005 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 -0.2260 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 1.4092 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6857 2.5219 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8362 -0.4222 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 0.8001 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 2.2676 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 1.1529 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 0.6945 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 1.0097 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 -0.9872 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -1.3718 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 -2.8883 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 -2.0189 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 -1.7476 -3.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 -2.5456 -2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 0.4897 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 -0.6742 -3.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 0.6977 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 -0.0397 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -2.3208 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -1.5703 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -0.9909 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -2.0989 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 -0.0230 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 0.8497 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 0.0417 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3339 0.9261 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 1.1155 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 3.1340 1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5927 2.4020 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 4.3150 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 2.9890 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 3.0668 -0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4379 -4.2411 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9628 -3.2722 2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -3.5426 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 14 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 M END