HMDB0029222 RDKit 3D Urolithin A-3-O-glucuronide 45 48 0 0 0 0 0 0 0 0999 V2000 -5.2510 2.0746 1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 0.8828 1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 0.3985 1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3275 -0.0119 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 0.6011 1.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.5514 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 1.2339 0.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 0.7327 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 -0.5779 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 -1.0055 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 -0.1131 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 1.2275 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 1.6079 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 2.0951 0.7427 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7039 1.7344 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 2.6217 1.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 0.4424 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 0.1064 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.1976 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 -1.5846 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 -2.1230 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4687 -1.7695 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -0.4846 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 1.1828 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 1.5570 -2.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1976 0.1439 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 -0.6618 -2.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4926 -0.7164 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 -1.0798 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5217 0.8803 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -0.8193 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 -0.5119 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 -1.2853 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 -2.0391 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 2.6555 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 0.8518 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5050 -1.8972 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0773 -3.1600 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.5138 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 2.0550 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 1.9811 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1069 0.6260 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 -1.6100 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8831 -1.6390 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -1.4428 -1.2957 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 6 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 4 1 0 13 8 1 0 23 17 1 0 23 11 1 0 3 30 1 0 4 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 13 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 24 40 1 0 25 41 1 0 26 42 1 0 27 43 1 0 28 44 1 0 29 45 1 0 M END