HMDB0253456 RDKit 3D Indoxyl-beta-D-glucoside 38 40 0 0 0 0 0 0 0 0999 V2000 -2.1104 1.6485 1.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 0.6311 1.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -0.5123 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 -0.9986 0.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -0.5226 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -1.3088 -0.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -1.3516 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -2.5016 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7339 -2.1855 0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8014 -0.8970 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -0.1153 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 1.2132 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 1.7726 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 0.9637 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 -0.3568 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -0.4056 -1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 -0.0309 -2.3576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 0.5688 -1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 1.8435 -1.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -0.0170 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 -1.0662 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 2.5566 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 1.0325 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 0.2627 2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -1.2938 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 0.5085 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 -3.4343 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 -2.8296 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 -0.5323 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5669 1.8073 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 2.8064 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 1.4365 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -1.3846 -1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 0.8193 -2.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 0.6566 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 1.9743 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 0.7495 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -1.5071 -0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 3 1 0 15 7 1 0 15 10 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 5 26 1 0 8 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END