HMDB0244010 RDKit 3D 1-Sulfooxymethylpyrene 34 37 0 0 0 0 0 0 0 0999 V2000 5.3506 0.1675 1.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 -0.8419 0.6047 S 0 0 0 0 0 6 0 0 0 0 0 0 4.4854 -2.1263 1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0909 -1.2029 -0.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 -0.3189 -0.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.5789 0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.9257 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 1.8506 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 2.1436 -1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.4742 -1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2335 1.7039 -1.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 0.9948 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 0.0178 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -0.7269 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -1.7074 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -1.9521 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.1796 1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -1.4626 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.7428 1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 0.2459 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 0.5262 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 -0.1891 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8807 -0.6912 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 1.5823 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 0.6964 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 2.3835 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 2.9173 -2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 2.4640 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 1.1899 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 -0.5094 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0111 -2.3174 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 -2.7286 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 -2.2392 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.9258 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 20 7 1 0 21 10 1 0 22 13 1 0 22 17 1 0 4 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 18 33 1 0 19 34 1 0 M END