HMDB0249006 RDKit 3D Benzo[d]isoxazol-3-ol 15 16 0 0 0 0 0 0 0 0999 V2000 2.3847 -1.8938 -0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.7865 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 0.3850 -0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 1.3212 0.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 0.8398 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 1.4090 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 0.6601 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8893 -0.6793 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -1.2564 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 -0.5000 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 0.5682 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 2.4583 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 1.0899 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -1.3084 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5138 -2.3071 -0.4669 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 2 1 0 10 5 1 0 3 11 1 0 6 12 1 0 7 13 1 0 8 14 1 0 9 15 1 0 M END