HMDB0304475 RDKit 3D S-adenosyl-4-methylthio-2-oxobutanoate 47 49 0 0 0 0 0 0 0 0999 V2000 -2.4534 -2.2991 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.6104 1.2679 S 0 0 0 0 0 3 0 0 0 0 0 0 -3.7827 0.1733 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1441 -0.4648 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1365 0.1910 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0943 -0.0232 -1.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1527 1.0743 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 1.3314 1.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0855 1.6870 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 0.3131 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 0.4355 0.2444 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8741 1.2129 0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 0.9682 -0.4383 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1096 1.0727 0.1642 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 1.8000 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.6676 1.5309 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2818 0.8615 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5398 0.3688 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 0.7428 1.2716 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8087 -0.4571 -0.6442 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -0.8093 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 -0.3205 -1.2257 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 0.4903 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -0.3354 -1.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0216 -0.1138 -2.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -0.8405 -0.2565 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5432 -1.5482 -1.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1665 -2.8473 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -2.7746 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 -2.5955 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 1.2376 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 0.1131 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4953 -0.5053 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0672 -1.5339 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0611 1.6127 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -0.1191 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 1.3487 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.9506 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 1.7960 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 2.4169 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 0.1165 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 1.6456 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -1.4631 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3524 -1.0555 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -0.9752 -2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -1.4638 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1635 -2.4724 -1.1332 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 2 0 5 7 1 0 7 8 2 0 7 9 1 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 11 1 0 23 14 1 0 23 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 6 13 39 1 6 15 40 1 0 19 41 1 0 19 42 1 0 21 43 1 0 24 44 1 6 25 45 1 0 26 46 1 1 27 47 1 0 M CHG 1 2 1 M END