HMDB0001904 RDKit 3D 3-Nitrotyrosine 26 26 0 0 0 0 0 0 0 0999 V2000 3.5095 0.9368 -0.2677 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 0.3823 0.1428 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1621 0.7810 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 0.2693 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.9250 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 -1.4138 -0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 -0.7216 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -1.2058 0.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 0.4815 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 1.1923 1.4824 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9677 0.5717 2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 2.5548 1.5195 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.0475 0.9684 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 -1.0782 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 -1.7383 0.6734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -1.7184 -0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 1.9358 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 0.8535 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 0.8196 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 0.4366 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 1.9050 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -1.4818 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 -2.3586 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3209 -2.0748 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 1.9130 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 -1.2852 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 10 11 2 0 10 12 1 0 9 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 13 4 1 0 1 17 1 0 1 18 1 0 2 19 1 1 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 13 25 1 0 16 26 1 0 M CHG 2 10 1 12 -1 M END