HMDB0011686 RDKit 3D p-Cresol glucuronide 36 37 0 0 0 0 0 0 0 0999 V2000 5.7647 0.8437 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 0.6200 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 0.4130 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0528 0.1990 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.1884 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -0.0113 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -0.2416 0.2934 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6220 0.8555 0.5348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.7120 -0.3360 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4688 1.9515 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 2.0045 -1.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 3.0507 0.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 -0.4066 0.2061 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6331 -0.5849 -0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -1.6813 0.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4626 -2.4069 1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 -1.5257 0.7797 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6779 -2.5974 0.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 0.4006 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 0.6109 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8607 1.8722 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 0.1793 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4851 0.5584 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 0.4182 -2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 0.0390 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.2538 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.4339 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 3.9505 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9904 -0.0366 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3715 -1.2312 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 -2.2969 -0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -3.2547 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -1.5663 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 -2.3832 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 0.3988 2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 0.7782 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 5 19 1 0 19 20 2 0 20 2 1 0 17 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 7 26 1 6 9 27 1 6 12 28 1 0 13 29 1 1 14 30 1 0 15 31 1 6 16 32 1 0 17 33 1 1 18 34 1 0 19 35 1 0 20 36 1 0 M END