HMDB0010324 RDKit 3D Benzoyl glucuronide (Benzoic acid) 35 36 0 0 0 0 0 0 0 0999 V2000 1.2687 -0.9871 1.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5903 -0.5011 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5909 0.0313 -0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 0.0294 0.1951 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5471 -0.7490 -0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 -0.7092 -0.2276 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7051 -1.7553 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 -1.7804 -0.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -2.7025 -1.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 0.6868 -0.5254 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7704 0.7131 -0.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 1.6042 0.4589 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0460 2.9417 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 1.4609 0.2568 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6012 2.0612 1.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 -0.5381 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 -0.0271 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 -0.0581 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 -0.6155 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.1250 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 -1.0822 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -0.4475 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 -0.8420 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 -3.4511 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 0.9896 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 1.6672 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 1.2525 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 3.4730 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 1.9920 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 1.4127 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 0.4075 -1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 0.3331 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 -0.6444 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -1.5564 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -1.4843 1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 14 4 1 0 21 16 1 0 4 22 1 1 6 23 1 1 9 24 1 0 10 25 1 6 11 26 1 0 12 27 1 1 13 28 1 0 14 29 1 6 15 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 M END