HMDB0038404 RDKit 3D Glucoraphanin 49 49 0 0 0 0 0 0 0 0999 V2000 6.7818 0.8722 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5919 -0.0955 0.0517 S 0 0 0 0 0 4 0 0 0 0 0 0 5.1877 -1.3440 -0.7189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 0.9380 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 0.1499 1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 0.9971 1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 0.1461 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -1.0740 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -2.1835 1.4769 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -3.2786 0.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 -3.3998 -0.9431 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.4273 -3.5842 -1.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -2.2020 -1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 -4.8127 -1.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.0713 -0.0712 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 0.4760 -0.0685 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2430 0.5503 1.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 0.3277 0.9810 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9547 -1.1487 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 -1.2829 0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 1.1692 -0.0482 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9689 2.2484 0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 1.7930 -1.0235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9058 2.2977 -2.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 0.7061 -1.3390 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3750 1.1237 -2.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8354 1.9037 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 0.4052 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4639 0.9199 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 1.2267 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3649 1.8597 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 -0.1206 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -0.7307 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 1.2386 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 1.9682 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -0.1469 2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 0.7198 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -5.4790 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 1.3142 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 0.6294 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 -1.6979 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 -1.6611 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 -1.3028 -0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9692 0.5577 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8577 2.3655 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 2.5769 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 3.2778 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.1779 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 2.0355 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 1 0 11 12 2 0 11 13 2 0 11 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 16 1 0 1 27 1 0 1 28 1 0 1 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 14 38 1 0 16 39 1 1 18 40 1 1 19 41 1 0 19 42 1 0 20 43 1 0 21 44 1 6 22 45 1 0 23 46 1 1 24 47 1 0 25 48 1 6 26 49 1 0 M END