HMDB0059998 RDKit 3D Diphenol glucuronide 34 35 0 0 0 0 0 0 0 0999 V2000 -3.9003 1.5953 -2.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 0.8881 -2.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3922 0.5050 -3.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 0.4510 -0.8627 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0254 -0.3154 -1.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 -0.3166 0.0330 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0315 -0.7039 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.1413 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3814 -0.8553 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 -0.3884 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 0.8618 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 1.6126 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 1.0894 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 1.8827 0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 -1.2992 0.9529 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2648 -1.2378 2.1822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -0.9840 1.1733 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0579 -2.2068 1.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -0.2611 0.0693 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9059 0.7222 0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 0.9570 -3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 1.3621 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 0.6690 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -1.8236 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 -0.9595 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 1.2276 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 2.5926 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 2.7883 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -2.3117 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 -2.1062 2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 -0.4304 2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -2.6632 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 -0.9357 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 0.7354 1.6197 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 6 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 4 1 0 13 8 1 0 3 21 1 0 4 22 1 1 6 23 1 1 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 15 29 1 6 16 30 1 0 17 31 1 1 18 32 1 0 19 33 1 6 20 34 1 0 M END