HMDB0060014 RDKit 3D Phenol glucuronide 33 34 0 0 0 0 0 0 0 0999 V2000 -3.3211 -2.3881 0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -1.6903 0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 -2.3367 0.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 -0.2437 0.9246 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1580 0.2674 1.2407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 0.3359 0.1921 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7780 -0.5815 0.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.3867 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 0.8584 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 1.0348 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 -0.0773 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -1.3286 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -1.5156 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 0.2678 -1.1690 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1204 0.7600 -2.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 1.2130 -1.0192 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6683 1.5824 -2.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.5060 -0.1399 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9968 1.4712 0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -2.7159 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -0.1167 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 1.3639 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 1.7783 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 2.0180 0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9575 0.0013 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -2.2135 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.5072 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -0.7491 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 0.1297 -2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7847 2.1005 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 1.1100 -2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.2135 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 2.2658 -0.1666 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 6 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 4 1 0 13 8 1 0 3 20 1 0 4 21 1 1 6 22 1 6 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 6 15 29 1 0 16 30 1 1 17 31 1 0 18 32 1 6 19 33 1 0 M END