HMDB0260216 RDKit 3D [(2R,3R,4R)-3,4,5-Trihydroxy-1-oxopentan-2-yl] (2R)-2-amino-3-sulfanylpropanoate 31 30 0 0 0 0 0 0 0 0999 V2000 2.9867 -0.6126 1.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.5260 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 0.3561 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 0.3004 0.3685 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 0.5873 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 1.4820 -1.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.3798 -0.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -0.3983 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -1.6853 -1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -1.9600 -2.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 -0.2345 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 0.9776 0.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 -0.2716 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0299 0.7705 -1.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 -0.0581 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 1.1680 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 -0.4305 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 -1.4357 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 1.4809 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 -0.6156 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 1.2254 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 -0.4813 1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 0.4586 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.4764 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -1.0571 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 0.8882 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 -1.2573 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 1.6248 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -0.8805 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 0.0423 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 1.5581 1.7762 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 15 30 1 0 16 31 1 0 M END