HMDB0254410 RDKit 3D Mefruside 42 43 0 0 0 0 0 0 0 0999 V2000 -0.5202 -0.8176 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 -0.3745 0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 0.2737 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 -0.5627 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -1.5963 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3588 0.3250 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 -0.0404 -1.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3398 -0.4573 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 -1.1859 -1.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -0.5412 -0.6936 S 0 0 0 0 0 6 0 0 0 0 0 0 0.7350 -2.0089 -0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -0.1371 -2.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 0.3396 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 1.6345 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 2.4058 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 1.8546 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 2.7763 0.3222 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 0.5669 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -0.1097 1.3520 S 0 0 0 0 0 6 0 0 0 0 0 0 6.8009 -0.1538 0.4204 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 -1.4898 1.8317 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 0.7522 2.5615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 -0.1851 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -1.8628 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -0.1966 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -0.7155 2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 1.1059 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3817 0.7897 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5193 -2.0814 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 -1.1096 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 -2.3956 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 0.1284 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 1.3906 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 0.8424 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4255 -0.8743 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -1.1154 -3.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 0.4471 -2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 2.1146 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 3.4304 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7369 -0.6810 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 0.7256 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.2108 0.6615 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 2 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 19 22 2 0 18 23 2 0 9 4 1 0 23 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 14 38 1 0 15 39 1 0 20 40 1 0 20 41 1 0 23 42 1 0 M END