HMDB0037335 RDKit 3D Sudachitin 42 44 0 0 0 0 0 0 0 0999 V2000 5.6529 0.9594 -1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 0.1766 -0.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 -0.2885 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 0.0705 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -0.3054 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 0.0614 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 0.8237 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 1.1901 -1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8866 -2.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 0.7423 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 1.0330 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 1.7882 -2.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9851 0.5390 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2814 0.8321 -1.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9788 1.9656 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7377 -0.2124 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -0.7151 1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -0.5273 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -1.2930 1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -2.6992 1.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 -0.0301 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.3453 0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -1.0841 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 -1.4438 2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -1.0481 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 -1.4048 1.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6006 1.0933 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9848 0.4043 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 1.9317 -1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 0.6822 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 1.1887 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 2.2234 -3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3861 2.5768 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3689 2.6364 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 1.6644 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 -1.2718 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 -3.0444 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 -3.2219 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -2.9951 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -1.3995 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -2.0489 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7808 -1.0911 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 5 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 22 6 1 0 21 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 7 31 1 0 12 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 23 40 1 0 24 41 1 0 26 42 1 0 M END