HMDB0013695 RDKit 3D Urolithin A 25 27 0 0 0 0 0 0 0 0999 V2000 0.6214 3.4665 -0.3563 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 2.2837 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 1.9875 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 0.7569 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 0.5126 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -0.7718 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 -1.0107 -0.7651 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -1.8326 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 -1.5984 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -0.3182 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 -0.0045 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -0.9817 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -0.6539 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 0.6371 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6712 0.9707 0.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 1.6308 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 1.2918 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 1.3403 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 -1.9470 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -2.8031 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 -2.4335 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -1.9943 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -1.4366 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3586 0.2642 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 2.6443 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 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 14 16 1 0 16 17 2 0 17 2 1 0 10 4 1 0 17 11 1 0 5 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 12 22 1 0 13 23 1 0 15 24 1 0 16 25 1 0 M END