HMDB0010334 RDKit 3D Ketoprofen glucuronide 53 55 0 0 0 0 0 0 0 0999 V2000 -0.2880 1.5962 -2.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 1.3304 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 0.5040 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -0.6860 0.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 1.0278 -0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 0.2311 0.3808 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5876 0.1604 -0.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -0.8448 -0.1619 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4550 -1.1226 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3158 -2.0079 -1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -0.4112 -2.3716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0822 -0.6270 1.2034 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6580 -1.8746 1.5439 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 -0.3687 2.2077 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4538 -0.1563 3.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 0.8006 1.6645 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1904 1.1726 2.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 0.5131 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.7523 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -1.5446 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4947 -1.0844 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 0.1837 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 0.7591 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 1.6168 1.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 0.3799 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 -0.1001 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -0.4839 -1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 -0.3631 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 0.1160 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0871 0.4872 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 0.9810 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 1.5314 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.7692 -2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 2.5945 -2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 2.2800 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2501 -0.7993 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 -1.7770 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8097 0.3092 -2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8631 0.1489 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4664 -1.6877 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -1.2470 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 -0.3320 4.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 1.6279 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 1.8985 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.1699 -1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -2.5231 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -1.7314 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 -0.1951 -1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -0.8640 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5598 -0.6618 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2107 0.1969 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 0.8586 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 1.9727 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 2 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 22 31 2 0 16 6 1 0 31 18 1 0 30 25 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 6 36 1 1 8 37 1 1 11 38 1 0 12 39 1 6 13 40 1 0 14 41 1 1 15 42 1 0 16 43 1 6 17 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 31 53 1 0 M END