HMDB0244289 RDKit 3D 2-Methyl-5-nitroimidazol-1-ylacetic acid 20 20 0 0 0 0 0 0 0 0999 V2000 -2.0804 -1.4232 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 -1.2411 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -1.9493 1.2525 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -1.5001 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4483 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 0.3143 0.0448 N 0 0 0 0 0 4 0 0 0 0 0 0 3.6582 0.0541 0.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 1.3303 -0.8688 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1971 -0.3119 -0.1842 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 0.6495 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.9024 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 2.8278 -1.3283 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 2.0795 0.7782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5611 -0.4353 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -2.0775 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -1.9611 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.8342 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 0.2108 -1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 0.8301 -1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 2.9833 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 2 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 10 18 1 0 10 19 1 0 13 20 1 0 M CHG 2 6 1 8 -1 M END