HMDB0245031 RDKit 3D 2-Anthraquinonesulfonic acid 28 30 0 0 0 0 0 0 0 0999 V2000 -1.3796 -2.4439 -1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -1.3470 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -0.4847 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 -0.8392 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 -0.0208 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 1.1924 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 1.5377 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 0.7158 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 1.1075 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 2.1953 1.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.2104 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 0.5756 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.2291 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 0.2329 0.4901 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3854 -1.0062 0.7296 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 1.1096 1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 1.0850 -0.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -1.4250 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -1.8011 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -0.9882 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 -1.7776 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6379 -0.2760 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 1.8250 0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 2.4852 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 1.5184 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 1.6779 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -2.0710 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 -2.7590 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 13 18 2 0 18 19 1 0 19 20 2 0 20 2 1 0 8 3 1 0 20 11 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 12 25 1 0 17 26 1 0 18 27 1 0 19 28 1 0 M END