HMDB0060327 RDKit 3D 1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene 58 59 0 0 0 0 0 0 0 0999 V2000 -5.3820 -3.6313 -0.9854 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 -2.6695 0.0580 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4753 -1.4092 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -0.4271 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 0.8270 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 1.5569 -0.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 1.2425 0.1582 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 0.6429 1.0039 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6676 -0.3571 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 -1.2912 0.8297 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -0.3994 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2666 -1.3280 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -1.5014 1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -0.7939 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 0.0780 -0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 0.8366 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 0.7328 -2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 -0.1271 -1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 -0.8952 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 -1.7501 -0.1245 N 0 0 0 0 0 4 0 0 0 0 0 0 8.3711 -1.4117 -0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9172 -2.9181 0.5097 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6122 0.2504 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -0.3265 -1.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 1.6708 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 1.4335 2.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 2.7937 1.1063 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 3.2319 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 4.4596 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 5.0348 -1.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 4.9565 0.2763 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1326 -2.4860 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2303 -3.0477 0.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -1.7378 2.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -4.2739 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6299 -3.1668 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -3.1388 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -0.9986 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5838 -1.6814 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 -0.1098 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3987 -0.9505 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 2.0454 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.0713 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 0.2168 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -1.1292 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.3652 1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -1.9193 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 -2.1908 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 1.5204 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9914 1.3107 -3.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 -0.2184 -2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 1.3410 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.1737 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 1.9529 3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 3.5329 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 2.5142 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 5.8779 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8534 -1.0366 2.3182 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 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 15 23 1 0 23 24 1 0 8 25 1 0 25 26 1 0 25 27 2 3 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 2 32 1 0 32 33 2 0 32 34 1 0 23 11 1 0 19 14 1 0 1 35 1 0 1 36 1 0 2 37 1 1 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 6 42 1 0 8 43 1 1 9 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 16 49 1 0 17 50 1 0 18 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 28 55 1 0 28 56 1 0 31 57 1 0 34 58 1 0 M CHG 2 20 1 22 -1 M END