HMDB0254884 RDKit 3D Morin-5'-sulfonic acid 28 29 0 0 0 0 0 0 0 0999 V2000 0.0591 -1.9579 2.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -1.8094 1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.6224 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -0.2550 -0.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 0.5178 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 1.6704 -1.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 0.2888 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -0.6963 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -0.5640 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 0.5565 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 1.4089 -0.8288 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 0.3134 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 1.5541 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 2.1623 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 1.4735 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 0.2107 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 -0.3646 -1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -2.0746 3.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -2.1166 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -2.1623 -0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -1.5929 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 -1.3330 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 0.8307 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 2.1188 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2467 3.1474 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0287 1.9589 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -0.3276 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -1.3357 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 4 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 11 7 1 0 17 12 1 0 1 18 1 0 3 19 1 0 3 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 13 24 1 0 14 25 1 0 15 26 1 0 16 27 1 0 17 28 1 0 M END