HMDB0030841 RDKit 3D Sagequinone methide A 48 51 0 0 0 0 0 0 0 0999 V2000 5.0817 -1.0056 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -0.4692 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 0.7850 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 -0.2151 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -0.4653 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -0.2362 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3198 -0.4882 -1.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 0.1750 -1.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 1.5445 -1.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 1.8428 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6412 2.9220 0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 0.5202 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 0.4507 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 -0.0159 1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 0.3652 0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.3209 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -1.7327 -0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6752 0.4204 -1.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 -0.3962 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 0.2891 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 0.5456 1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 1.0436 2.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 0.3041 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 0.5524 2.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -1.2135 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8487 -0.2460 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 -1.9726 -1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 -1.2257 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 1.6673 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 0.9994 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 0.6103 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9185 -0.8523 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -1.1055 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5552 -0.1057 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 1.3958 2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.3315 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 -1.0894 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 0.5097 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9039 -0.0330 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 1.4369 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -2.4804 -0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 -1.9180 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 -1.9314 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2556 1.4369 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -0.1781 -2.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 0.5711 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 -1.4343 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 2.0551 2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 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 16 19 1 0 12 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 4 1 0 20 6 1 0 19 8 1 0 19 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 7 33 1 0 8 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 22 48 1 0 M END