HMDB0015155 RDKit 3D Isosorbide Mononitrate 22 23 0 0 0 0 0 0 0 0999 V2000 4.4600 -0.1430 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -0.8273 0.2379 N 0 0 0 0 0 4 0 0 0 0 0 0 3.5531 -2.0584 -0.3487 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2085 -0.3812 0.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 0.0273 -0.3723 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8356 1.4543 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 1.4974 -1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.3105 -1.0020 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0487 0.3959 -0.0074 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2732 0.4776 -0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 -0.9143 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -0.9010 0.9392 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.7137 -0.3503 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7117 -0.0501 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 1.6134 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 2.2042 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 -0.0815 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 1.2153 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 1.2375 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -1.7460 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -0.9505 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -1.6663 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 5 1 0 13 8 1 0 5 14 1 6 6 15 1 0 6 16 1 0 8 17 1 6 9 18 1 1 10 19 1 0 11 20 1 0 11 21 1 0 13 22 1 6 M CHG 2 2 1 3 -1 M END