HMDB0247249 RDKit 3D 7-Ethoxyresorufin 29 31 0 0 0 0 0 0 0 0999 V2000 -4.8579 0.3229 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4246 -1.0568 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -1.0150 0.9919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.6374 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 -0.2454 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 0.1257 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 0.1247 -1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 0.4909 -1.7084 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 0.4818 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 0.8483 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 0.8051 -0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 0.4136 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1314 0.3822 0.9898 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 0.0399 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 0.0673 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -0.2787 0.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 -0.2655 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -0.6356 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7164 0.6863 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9915 1.0200 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.2918 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4211 -1.7310 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0941 -1.4776 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9452 -0.2244 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 0.4356 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 1.1561 -2.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 1.0919 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8899 -0.2727 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 -0.9438 1.9717 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 4 1 0 17 7 1 0 15 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 5 24 1 0 6 25 1 0 10 26 1 0 11 27 1 0 14 28 1 0 18 29 1 0 M END