HMDB0254601 RDKit 3D Methyl methanesulfonate 12 11 0 0 0 0 0 0 0 0999 V2000 1.8952 -0.0577 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.2719 0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 0.6173 -0.2711 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.8070 -0.5634 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 0.6630 -1.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 1.9890 0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 0.8731 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -0.7532 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -0.5609 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 -1.2953 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -1.1248 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 -0.0591 -0.2280 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 3 5 2 0 3 6 2 0 1 7 1 0 1 8 1 0 1 9 1 0 4 10 1 0 4 11 1 0 4 12 1 0 M END