HMDB0060921 RDKit 3D 3-Hydroxyibuprofen 34 34 0 0 0 0 0 0 0 0999 V2000 -2.8859 -1.7065 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -0.2580 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 0.6119 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8465 0.2133 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 0.2342 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 0.1359 0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 1.1904 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 1.1512 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 0.0266 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.0066 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 1.0960 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 0.0871 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 1.0076 -1.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9303 -0.9154 -2.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2297 -1.0453 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -0.9732 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -2.2421 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 -2.1869 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 -1.7939 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 -0.1713 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 1.6442 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 0.5616 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 0.6646 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 1.2593 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.4029 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 2.0683 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 2.0200 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -0.9677 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 2.0710 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 1.2491 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3064 0.8296 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 -1.7038 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8029 -1.9417 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 -1.8198 1.7257 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 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 9 15 1 0 15 16 2 0 16 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 M END