HMDB0034071 RDKit 3D Progoitrin 43 43 0 0 0 0 0 0 0 0999 V2000 4.4716 -1.6816 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -0.7715 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -1.2117 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 -0.6911 -1.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -0.8001 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 0.6410 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4717 1.1264 1.3431 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 0.2391 1.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 0.8547 2.7707 S 0 0 0 0 0 6 0 0 0 0 0 0 4.6254 2.3608 2.8297 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.3722 4.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 0.3236 2.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 1.7505 0.0953 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 0.8362 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 0.1208 0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 0.1808 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7348 -1.0389 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 -1.0172 2.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 0.0956 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 -1.2186 -1.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1871 0.8633 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3554 -0.0355 -2.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 1.8032 -1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 2.6402 -2.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 -1.3454 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 -2.7292 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 0.2662 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 -2.3401 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.5802 -2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -1.1752 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8517 -1.3728 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8054 1.0475 2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 0.1254 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.0991 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -1.9298 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8507 -1.0285 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -0.2977 3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 0.5517 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -1.5188 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 1.4039 -2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8412 -0.5858 -3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 2.3661 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 2.3015 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 14 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 12 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 M END