HMDB0060542 RDKit 3D 5-Hydroxydiclofenac 31 32 0 0 0 0 0 0 0 0999 V2000 -1.4694 0.8622 2.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 2.0377 2.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 3.1158 3.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 2.2727 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7006 1.0024 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 0.5592 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 -0.6091 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 -1.0530 -1.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 -1.3859 -1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 -0.9568 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 0.2267 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 0.6058 0.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 -0.2052 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 -1.1981 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.4234 2.2953 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 -2.0164 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 -1.8641 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -0.8688 -1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 -0.0609 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 1.1702 -2.3269 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 2.9922 3.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 2.8558 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 2.8972 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8142 1.1473 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 -1.6512 -1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 -2.3191 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -1.5857 -1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 1.4957 0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -2.7997 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -2.5068 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 -0.7364 -2.2129 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 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 11 5 1 0 19 13 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 16 29 1 0 17 30 1 0 18 31 1 0 M END