HMDB0014011 RDKit 3D 5'-O-Desmethyl omeprazole 40 42 0 0 0 0 0 0 0 0999 V2000 -4.3637 1.5404 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 0.2244 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 -0.3068 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 -0.1021 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 0.6899 2.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 -0.6384 1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -1.3495 0.7523 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.5551 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4119 -2.3394 -1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 -2.8556 -0.7424 S 0 0 0 0 0 4 0 0 0 0 0 0 1.9580 -3.6938 -1.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -1.4647 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -0.8556 0.9458 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9702 0.1502 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 1.0987 1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 2.0560 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 2.0812 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 3.0622 0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 1.1594 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5703 0.1990 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -0.7974 -1.0038 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4082 -1.0409 -0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0338 -1.2378 -2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 2.1455 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 2.0540 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 1.5020 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 -0.0037 3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 1.4114 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 1.1728 3.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.4841 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -3.2311 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -1.6925 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 1.0300 2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 2.7468 2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 3.0840 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.1736 -1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -1.0326 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 -1.3744 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -2.1420 -2.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 -0.3837 -2.7814 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 4 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 2 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 2 0 20 21 1 0 8 22 2 0 22 23 1 0 22 3 1 0 21 12 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 9 31 1 0 9 32 1 0 15 33 1 0 16 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 23 38 1 0 23 39 1 0 23 40 1 0 M END