HMDB0255283 RDKit 3D N(4)-Acetylsulfisoxazole 36 37 0 0 0 0 0 0 0 0999 V2000 5.3841 -0.6501 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2574 0.8284 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4222 1.5753 -0.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 1.3740 0.1107 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 0.5575 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 0.7049 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.0840 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 -1.0458 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -2.0000 0.3933 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.3284 -2.0608 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -3.4149 0.7865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0398 -1.2835 1.3328 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -0.0139 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 1.1779 1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 2.1025 0.9721 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 1.5745 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0055 2.2661 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 0.1996 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -0.7856 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 -1.1951 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.4086 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -1.1416 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2013 -0.9301 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6997 -1.0730 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 2.3660 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 1.4474 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 0.0259 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -1.7912 2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6355 2.7845 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5825 2.9791 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6312 1.5180 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6107 -0.4952 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2858 -0.8351 -1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 -1.8122 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -1.9296 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -0.5313 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 8 20 1 0 20 21 2 0 21 5 1 0 18 13 2 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 6 26 1 0 7 27 1 0 12 28 1 0 17 29 1 0 17 30 1 0 17 31 1 0 19 32 1 0 19 33 1 0 19 34 1 0 20 35 1 0 21 36 1 0 M END