HMDB0059759 RDKit 3D 1-Hydroxypyrene glucuronide 47 51 0 0 0 0 0 0 0 0999 V2000 -2.5841 -2.0537 0.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 -1.5729 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -2.4370 0.9637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -0.1175 1.2878 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7416 0.5718 1.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 0.8483 0.1173 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9124 0.2101 0.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 0.7212 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 2.0600 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 2.4934 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 1.6172 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 2.0406 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 1.1656 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 -0.1873 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -1.0808 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8918 -2.4400 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 -2.8938 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -1.9766 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -2.4314 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 -1.5248 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 -0.1659 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 0.2665 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -0.6193 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 0.5400 -1.0762 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4601 1.2424 -2.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 1.1828 -0.8081 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1765 1.1811 -1.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 0.4559 0.3705 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8604 1.2775 1.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8728 -3.0122 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 -0.0531 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 1.9433 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 2.7973 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1676 3.5469 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 3.0928 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 1.4680 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 -0.7617 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7199 -3.1627 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -3.9644 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 -3.4783 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -1.9122 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0721 -0.5154 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 0.9274 -2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 2.2280 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5548 2.0892 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5432 -0.4040 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7081 0.7979 1.2285 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 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 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 21 8 1 0 22 11 1 0 23 14 1 0 23 18 1 0 3 30 1 0 4 31 1 1 6 32 1 1 9 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 20 41 1 0 24 42 1 6 25 43 1 0 26 44 1 1 27 45 1 0 28 46 1 6 29 47 1 0 M END