HMDB0010313 RDKit 3D 1-Salicylate glucuronide 36 37 0 0 0 0 0 0 0 0999 V2000 1.3715 1.7772 -1.9867 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 1.7865 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 2.5496 -2.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 1.0230 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 1.0665 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 0.3780 1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 -0.3876 1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -0.4562 1.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 0.2610 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 0.1563 -0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 0.0529 -0.4137 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3954 0.6495 0.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 0.3705 0.3804 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4420 0.9359 1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 0.8197 1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8004 1.6478 2.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -1.0920 0.3063 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5522 -1.4175 -0.9464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 -1.8623 0.4638 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0935 -1.4249 1.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 -1.3996 -0.7088 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6093 -1.4906 -1.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 3.5547 -2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 1.6778 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 0.4175 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -0.9501 2.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -1.0408 1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8068 0.5830 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.8633 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 2.3094 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7402 -1.4451 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 -1.6104 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -2.9517 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 -0.9189 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -1.9812 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -2.4511 -2.0630 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 4 1 0 21 11 1 0 3 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 11 28 1 6 13 29 1 6 16 30 1 0 17 31 1 1 18 32 1 0 19 33 1 1 20 34 1 0 21 35 1 6 22 36 1 0 M END