HMDB0302809 RDKit 3D alpha-Elemene 39 39 0 0 0 0 0 0 0 0999 V2000 -2.2782 2.2178 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 1.2794 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 0.9540 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 1.2066 1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 1.8991 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 1.6233 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 0.2498 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -0.0492 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 1.0000 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -1.4060 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -0.7428 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 -0.4530 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 -1.5873 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -2.8945 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 -1.7661 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 2.8124 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 2.4392 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 0.7121 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 1.0181 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 2.2433 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 0.5505 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 2.9398 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 1.7111 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 1.7775 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 2.3151 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 1.5773 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 0.5848 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 1.6936 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -1.8381 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -2.0446 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 -1.4028 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 -1.7765 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 -1.4297 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4225 -3.2176 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -2.8669 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -3.7293 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 -1.5441 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -1.2144 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -2.8420 0.7815 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 1 0 12 3 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END