HMDB0040528 RDKit 3D 1,4-Benzodioxin-2(3H)-one 17 18 0 0 0 0 0 0 0 0999 V2000 -3.3197 -1.4773 1.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 -0.8496 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4518 0.5995 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 1.2245 0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 0.5935 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 1.3705 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 0.7686 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.6183 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 -1.3995 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 -0.7794 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 -1.5015 0.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 1.0360 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 0.7436 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 2.4440 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 1.3949 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -1.0856 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -2.4639 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 2 1 0 10 5 1 0 3 12 1 0 3 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 9 17 1 0 M END