HMDB0029219 RDKit 3D Urolithin D 27 29 0 0 0 0 0 0 0 0999 V2000 0.9192 -3.2258 -1.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -2.1434 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -1.9717 -0.8313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -0.8889 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 -0.8078 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -1.9010 -0.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 0.3274 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8576 0.4241 -0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7404 1.3909 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 1.3382 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 0.1873 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 0.1013 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 1.1249 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 0.9633 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 1.9913 0.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -0.2213 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -0.3924 0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 -1.2569 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -1.0977 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 -2.7104 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 1.2564 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 2.3131 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 2.1781 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 2.0431 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 2.8492 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 0.3333 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 -2.2046 -0.7519 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 5 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 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 2 1 0 11 4 1 0 19 12 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 13 24 1 0 15 25 1 0 17 26 1 0 18 27 1 0 M END