HMDB0060358 RDKit 3D 2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene 50 50 0 0 0 0 0 0 0 0999 V2000 -6.1814 -0.0175 -0.6844 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4578 -1.2588 -0.8561 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1715 -1.1673 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 0.0116 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 0.1565 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 0.3860 1.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.0706 -0.5249 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 0.2070 0.1640 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3588 -0.5903 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -0.3403 0.4154 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -1.1868 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 -2.6173 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 -3.6020 -0.7117 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -3.3720 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4656 -2.7733 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 -1.4731 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 -0.5510 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.3340 1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 1.6557 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 1.9282 0.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 2.5860 -0.2266 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 3.9526 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 4.8951 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 4.4271 -0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 6.2616 -0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2433 -2.3957 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 -3.5602 -0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4857 -2.1723 0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 0.3374 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8782 0.7180 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2309 -1.3895 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -0.9891 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 -2.0690 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 0.9611 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 -0.1359 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 -0.3605 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -0.1437 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.0989 -1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -1.6086 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -0.9523 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1231 -4.4691 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2705 -3.4351 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 -1.0687 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 0.1041 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 -0.0571 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 2.3950 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 4.1586 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 4.1766 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3608 6.6198 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7488 -2.4873 1.1655 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 1 0 12 14 2 0 14 15 1 0 15 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 6 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 8 37 1 1 9 38 1 0 9 39 1 0 11 40 1 0 14 41 1 0 15 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