HMDB0060330 RDKit 3D 1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene 58 59 0 0 0 0 0 0 0 0999 V2000 3.6440 -0.9958 -1.4989 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -1.7768 -0.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7882 -2.7385 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 -1.9001 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -1.0376 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -1.6764 2.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 0.1996 1.3285 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 0.9844 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3110 1.2519 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 -0.2240 0.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 0.3448 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -0.7948 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 -0.9752 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8095 -2.0682 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -3.0223 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 -2.8818 1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 -1.7734 1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -1.7275 2.2988 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4766 -2.8235 2.7905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 -0.5845 2.8211 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1280 0.0148 -1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3577 1.0701 -1.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 1.3303 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 2.6218 -0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 2.3439 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.0350 1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 2.8338 -0.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 4.1377 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 4.9543 -1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 6.1096 -1.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 4.4880 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 -2.4799 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -2.3466 -1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 -3.2735 0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -1.5758 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -0.5867 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 -1.0707 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 -3.3611 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -3.3338 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 -1.3882 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.6449 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -1.2305 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 0.5700 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.7846 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 1.8997 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 0.9106 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5506 -2.1363 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3247 -3.9051 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 -3.6416 2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 -0.0959 -2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 1.8061 -2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 1.4954 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 2.6024 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 2.7123 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 3.9691 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 4.6446 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 4.8168 -3.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -2.8607 1.4521 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 18 20 1 0 13 21 1 0 21 22 2 0 22 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 17 12 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 6 9 44 1 0 9 45 1 0 11 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 21 50 1 0 22 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 18 1 20 -1 M END