HMDB0031941 RDKit 3D 8'-Episesaminone 45 49 0 0 0 0 0 0 0 0999 V2000 1.0587 0.3200 1.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 -0.3757 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -0.2192 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 -0.9834 -0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -0.8342 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 0.1013 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 0.8911 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 0.7256 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0464 1.7082 1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0419 1.6788 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 0.4325 -0.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.3344 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -1.0793 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.8140 -1.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2862 -0.1803 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 0.2039 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 -0.6498 -0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 -0.2572 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 1.0093 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 1.8837 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 1.4559 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9137 3.0776 0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2081 3.0885 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 1.6902 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -1.1625 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -2.5107 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -3.3926 1.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -1.7314 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1563 -1.4476 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 1.3347 1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 1.7284 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9036 2.4832 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 -2.3977 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -2.0111 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 -0.2491 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 0.7276 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 -1.6507 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8438 -0.9249 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 2.1594 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9241 3.6882 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1348 3.4260 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 -0.7630 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3608 -2.8891 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -2.5534 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 -3.4026 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 15 25 1 0 25 26 1 0 26 27 1 0 8 3 1 0 25 12 1 0 11 6 1 0 21 16 1 0 24 19 1 0 4 28 1 0 5 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 23 40 1 0 23 41 1 0 25 42 1 0 26 43 1 0 26 44 1 0 27 45 1 0 M END