HMDB0060326 RDKit 3D 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene 58 59 0 0 0 0 0 0 0 0999 V2000 4.6726 -3.8815 0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -2.7403 -0.4269 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3391 -1.4981 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 -1.6376 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -0.3006 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 0.8336 -1.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -0.1932 0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6376 1.0720 0.6240 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2691 0.9037 1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.3524 1.5506 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 0.2220 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -0.8636 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -2.1754 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 -3.1952 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2768 -2.9814 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7877 -1.6759 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1501 -1.4729 -0.7356 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.6802 -2.3365 -1.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8878 -0.4604 -0.2416 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9208 -0.6342 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 0.7578 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 1.7370 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 1.5546 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 1.8606 1.8508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 2.1326 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 1.9522 2.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 3.2042 0.3127 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 3.5972 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 5.1013 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 5.7111 -1.7924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 5.8425 0.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -2.4079 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1346 -3.0871 0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 -1.3122 -0.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 -4.6156 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 -4.2758 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 -2.9925 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -0.7115 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -1.1555 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -1.9360 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -2.4122 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 1.0968 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 1.3187 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.8923 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 0.5841 2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0029 0.2623 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 -2.3148 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 -4.2060 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9737 -3.7740 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4242 0.9765 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 2.7443 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 2.3600 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 1.0107 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 1.3982 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 3.1871 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 3.2968 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 6.4634 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 -1.4731 -1.5266 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 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 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 20 12 1 0 1 35 1 0 1 36 1 0 2 37 1 6 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 13 47 1 0 14 48 1 0 15 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 17 1 19 -1 M END