HMDB0014013 RDKit 3D 3-Hydroxyomeprazole 44 46 0 0 0 0 0 0 0 0999 V2000 7.6556 0.4506 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -0.5707 0.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -0.6738 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 -1.6610 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 -1.8245 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 -0.9721 -1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 -0.8766 -1.8172 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 0.1500 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 0.7067 -1.4874 S 0 0 0 0 0 4 0 0 0 0 0 0 0.2654 2.2176 -1.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -0.1578 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 0.2720 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4741 1.2101 -1.5063 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7415 1.6280 -1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7885 1.0984 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1924 1.5372 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 0.1248 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 -0.4282 0.6944 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 0.2503 1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -0.3001 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 -1.3587 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9774 -1.7956 1.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 0.6991 -0.3152 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 0.0425 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2557 0.1453 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8928 0.3491 2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4134 1.4284 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6404 0.4687 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9961 -2.3350 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -2.5948 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6739 -1.2447 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -0.0057 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 2.3781 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 0.8083 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 2.5723 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3647 1.5455 -2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5777 1.0251 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -0.4379 2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 0.7356 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -1.0025 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 -2.2503 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -2.4706 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6624 1.5046 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 0.9274 1.0502 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 21 22 1 0 8 23 1 0 23 24 1 0 24 25 2 0 25 3 1 0 24 6 1 0 20 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 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 M END