HMDB0060329 RDKit 3D 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene 58 59 0 0 0 0 0 0 0 0999 V2000 -5.4636 -2.4978 -1.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -2.5083 -0.1530 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4230 -1.2640 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 -0.0353 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 0.0318 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -0.8391 -1.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 0.8955 0.4995 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5809 1.1890 0.6869 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7320 0.2536 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 0.7405 0.1797 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 -0.3560 -0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -1.7265 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 -2.4066 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -1.7834 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2285 -2.4861 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 -1.8942 1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 -0.6125 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 0.1099 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9312 1.4367 -0.0703 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5328 2.0077 -1.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 2.1732 0.7774 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4377 -0.5002 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 0.2612 -0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 0.3200 -2.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 2.5728 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 3.6240 1.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 2.7990 -0.5578 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 4.0966 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 4.7737 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 4.2056 1.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 6.0580 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4509 -3.7137 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2219 -4.4722 -0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 -4.0125 1.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -2.6046 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -3.3302 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8361 -2.6117 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5326 -1.2429 0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9845 -1.1884 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4004 0.0013 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 0.9004 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -0.7310 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 1.0378 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.4618 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 -0.7861 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -0.3484 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -2.2485 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -3.4275 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9967 -3.5053 1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.4454 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5743 -0.1108 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 1.3033 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 -0.5277 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 3.4761 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 3.9462 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 4.7315 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 6.8377 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 -4.0283 2.2341 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 1 0 19 20 2 0 19 21 1 0 18 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 22 14 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 1 9 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 15 49 1 0 16 50 1 0 17 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 19 1 21 -1 M END