HMDB0014378 RDKit 3D Aminosalicylic Acid 18 18 0 0 0 0 0 0 0 0999 V2000 -3.0762 -0.2424 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 -0.1872 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 -1.3501 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -1.2531 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -0.0525 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 0.0192 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 1.1120 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 -1.1662 0.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 1.1094 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 2.3480 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 1.0567 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 -0.3406 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5837 -0.1839 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 -2.3323 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -2.2112 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -1.5029 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 3.1932 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 1.9841 -0.0758 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 9 11 2 0 11 2 1 0 1 12 1 0 1 13 1 0 3 14 1 0 4 15 1 0 8 16 1 0 10 17 1 0 11 18 1 0 M END