Mol:Alpha-D-Altrose.mol
From Metabolomics.JP
metabolomics.jp 12 12 0 0 0 0 0 0 0 0999 V2000 0.9879 0.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -1.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 0.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -1.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 1.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 3 4 1 1 5 4 1 1 5 6 1 0 6 1 1 0 4 7 1 0 5 8 1 0 2 9 1 0 3 10 1 0 6 11 1 0 11 12 1 0 S SKP 6 AUTODRAW FALSE ID Alpha-D-Altrose.mol FORMULA C6H12O6 EXACTMASS 180.063388116 AVERAGEMASS 180.15588 SMILES OCC(O1)C(O)C(O)C(O)C(O)1 M END