HMDB0303115 RDKit 3D trans-[6]-Shogaol 25 25 0 0 0 0 0 0 0 0999 V2000 4.0637 0.2038 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -0.4876 -0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -0.2126 -1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.9505 -0.8415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -0.6431 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 -1.8173 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -2.8557 0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 -0.0391 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 1.0882 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7779 1.6362 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 1.1015 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 -0.0101 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -0.5606 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -0.0135 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -0.0505 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 1.3076 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 -0.5634 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 0.8552 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 0.1317 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -1.7826 2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 1.4989 1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 2.5061 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 1.5179 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -0.4204 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 -1.4402 -1.2607 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 2 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 6 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END