HMDB0014010 RDKit 3D 5-Hydroxyomeprazole 44 46 0 0 0 0 0 0 0 0999 V2000 8.8235 -0.1636 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 -0.7774 0.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4444 -0.3749 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1473 0.7297 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 1.1545 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 0.4882 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 0.6966 0.1946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 -0.2275 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 -0.3960 1.5426 S 0 0 0 0 0 4 0 0 0 0 0 0 -0.0240 0.5104 2.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 -0.0230 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.1897 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -0.5670 1.7864 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 -0.7606 1.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 -0.6040 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3504 -0.9439 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 -0.0360 2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 -0.2321 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 -0.1138 -1.3241 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0397 1.0194 -1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -0.0152 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 0.6151 -1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 -1.0184 1.3386 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 -0.6427 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 -1.0562 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1588 0.7752 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 -0.9323 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4831 0.1498 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 1.2632 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 1.9929 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 1.0908 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -0.6329 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 -1.0792 2.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9555 -1.3059 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2187 -1.8762 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6023 0.8806 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0015 1.9244 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1624 0.7702 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7185 1.1789 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 0.8669 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2675 1.6606 -1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 0.0288 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 -1.8956 1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 -1.9324 1.4603 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 8 23 1 0 23 24 1 0 24 25 2 0 25 3 1 0 24 6 1 0 21 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 M END