HMDB0033125 RDKit 3D [8]-Dehydroshogaol 48 48 0 0 0 0 0 0 0 0999 V2000 6.0218 0.2989 -2.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 -0.4905 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 -0.0111 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 -0.2563 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 0.1940 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -0.5166 1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.0181 2.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 -0.2871 2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 0.6731 2.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 0.5056 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 1.5858 1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.7671 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 -1.0558 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -0.1902 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 0.9326 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4298 1.7191 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1201 1.4139 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 2.1977 -0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7497 0.2914 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4362 -0.0291 -2.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0529 -1.1901 -2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7367 -0.4842 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4171 1.2041 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 -0.3216 -3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 0.6284 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 -0.3291 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -1.5854 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6564 1.0984 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 -0.5104 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 0.2527 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -1.3545 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 1.3007 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0862 0.0658 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 -0.4248 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -1.5911 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 1.1053 3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 -0.5686 3.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -1.3065 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 1.6890 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.6204 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 -2.1647 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9368 1.1584 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7313 2.6199 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 1.9569 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7837 -1.3291 -3.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -2.0850 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0058 -1.0752 -3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -1.3655 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 12 40 1 0 13 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 M END