HMDB0245799 RDKit 3D 3-Alizarinsulfonic acid 30 32 0 0 0 0 0 0 0 0999 V2000 0.9908 -1.9269 1.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.0228 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -0.4885 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -0.9623 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -0.4722 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 0.5214 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 1.0251 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 0.5023 -0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 1.0129 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 1.9226 -1.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 0.4779 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 -0.5175 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 -1.0487 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 -0.5830 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 -1.2161 1.0847 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.9144 -2.2555 2.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 -1.8165 -0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0921 0.0008 1.8051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 0.4007 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8664 0.8759 -0.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 0.9529 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5301 1.9212 -1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 -1.7495 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 -0.8785 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6098 0.8967 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 1.8166 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 -1.8131 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5772 0.3442 2.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 1.6018 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 2.4782 -2.4913 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 2 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 14 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 12 2 1 0 8 3 1 0 21 11 1 0 4 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 13 27 1 0 18 28 1 0 20 29 1 0 22 30 1 0 M END