HMDB0060381 RDKit 3D 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene 50 50 0 0 0 0 0 0 0 0999 V2000 5.8613 -0.8954 -0.6427 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 -1.7017 -1.1405 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6727 -0.7905 -1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 0.0726 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 1.0180 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.9884 -1.8575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 0.9312 -0.2856 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 1.7559 -0.5088 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2259 0.8648 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -0.3806 0.2687 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -1.5220 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0982 -0.7290 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 -1.0398 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 -2.2184 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8322 -2.5987 2.2696 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.1426 -2.9564 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 -2.7115 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4731 -3.8693 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 2.3762 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1846 3.2116 1.5246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8154 2.1523 1.1885 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 2.7429 2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 4.1911 2.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 4.7335 1.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 4.9887 3.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2153 -2.6953 -2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 -3.4758 -2.6686 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 -2.7468 -2.4744 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 -1.5269 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -0.3465 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -2.2755 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -1.3458 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.1313 -2.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 0.6911 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -0.6058 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2461 2.2966 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 2.6038 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.5030 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.4099 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 -1.8227 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1267 0.1417 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 -0.4019 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 -3.8337 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -2.5747 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -4.0337 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 3.7460 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 2.6221 3.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 2.2604 2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 5.1452 4.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2389 -3.2172 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 8 19 1 0 19 20 1 0 19 21 2 3 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 2 26 1 0 26 27 2 0 26 28 1 0 17 11 1 0 1 29 1 0 1 30 1 0 2 31 1 1 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 8 37 1 6 9 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 25 49 1 0 28 50 1 0 M END