HMDB0002916 RDKit 3D 4-Nitrocatechol 16 16 0 0 0 0 0 0 0 0999 V2000 3.1675 1.3973 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 0.3884 -0.1026 N 0 0 0 0 0 4 0 0 0 0 0 0 3.5865 -0.4196 -0.7380 O 0 0 0 0 0 1 0 0 0 0 0 0 1.3011 0.1604 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 -0.9589 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 -1.2124 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 -0.3643 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 -0.5760 -0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 0.7393 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 1.5837 1.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 1.0199 0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -1.6237 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -2.0705 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -1.3941 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 1.4408 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 1.8899 1.1052 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 11 4 1 0 5 12 1 0 6 13 1 0 8 14 1 0 10 15 1 0 11 16 1 0 M CHG 2 2 1 3 -1 M END