HMDB0001913 RDKit 3D Omeprazole 43 45 0 0 0 0 0 0 0 0999 V2000 7.6102 1.8100 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 0.4317 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -0.1222 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -1.4702 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 -1.9834 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 -1.1454 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -1.3202 -0.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -0.1579 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 0.2076 -0.2280 S 0 0 0 0 0 4 0 0 0 0 0 0 -0.2816 1.3666 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -1.2342 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -0.9351 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -1.2070 1.7994 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -1.0144 2.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0531 -0.5450 1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 -0.3671 1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 -0.2826 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 0.2043 -1.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4163 1.6438 -1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1618 -0.4728 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.1752 -1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 0.7776 -0.1016 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 0.1919 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 0.7429 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2933 2.3762 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 2.0693 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6229 2.1502 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8821 -2.1266 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 -3.0532 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -2.1036 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -1.4555 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -1.2122 3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7831 -1.0611 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1334 -0.6157 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7069 0.6502 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1779 2.1081 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4136 1.9598 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6628 2.0578 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 0.9122 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -0.8627 -2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 -0.3336 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 1.8029 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 1.7938 0.1415 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 15 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 20 21 1 0 8 22 1 0 22 23 1 0 23 24 2 0 24 3 1 0 23 6 1 0 20 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 21 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 24 43 1 0 M END