HMDB0031464 RDKit 3D cis-[8]-Shogaol 50 50 0 0 0 0 0 0 0 0999 V2000 -8.2926 0.3724 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0253 -0.1177 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0573 -0.7204 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 -1.1683 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -1.7838 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 -0.8745 1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 0.3772 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 0.0284 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2665 0.4591 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8629 0.1308 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -0.5806 -1.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 0.6416 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 0.1690 -1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5266 0.7123 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 1.9376 -1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 2.4347 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9653 1.6841 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 2.1961 0.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 0.4486 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -0.2716 1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -1.5259 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 -0.0283 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0081 0.7502 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8009 1.1155 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9312 -0.5330 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2426 -0.8902 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5129 0.7206 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -1.5920 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -0.0300 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2007 -1.9399 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -0.3526 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -2.0929 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -2.6767 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4163 -1.4261 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 -0.6366 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3593 0.9969 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 0.9587 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 -0.5972 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 1.0750 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 0.3019 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 1.7569 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 -0.9132 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 0.5885 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 2.4948 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 3.4029 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8026 1.6547 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8618 -2.0693 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 -2.1730 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1789 -1.4217 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 -0.9930 0.2633 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 1 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 12 41 1 0 13 42 1 0 13 43 1 0 15 44 1 0 16 45 1 0 18 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 M END