HMDB0246629 RDKit 3D 4'-Hydroxy Aceclofenac 37 38 0 0 0 0 0 0 0 0999 V2000 2.2623 1.5114 1.8672 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 1.3285 1.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 1.3686 3.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 1.0658 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 1.0470 -0.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 0.1587 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -0.6578 0.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 0.1695 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 -0.8765 -1.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.0581 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -3.0803 -2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -2.9423 -1.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 -1.7691 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.7401 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 0.4748 -0.4247 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 0.6289 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 1.1692 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 1.6886 -1.8926 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0692 1.2979 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1138 0.9006 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2361 1.0180 2.6873 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 0.3508 2.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.2281 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -0.4651 2.3992 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 1.9165 3.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 1.8412 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8993 0.1035 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 1.1954 -2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 -0.0764 -2.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -2.2249 -3.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -4.0173 -3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -3.7629 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 -1.6294 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 1.2670 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 1.7219 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 1.8110 3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 0.0375 3.4948 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 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 14 9 1 0 23 16 1 0 3 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 19 35 1 0 21 36 1 0 22 37 1 0 M END