Mol:Beta-L-Allose.mol
From Metabolomics.JP
metabolomics.jp 12 12 0 0 0 0 0 0 0 0999 V2000 -0.4385 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 0.3876 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 5 7 1 0 4 8 1 0 3 9 1 0 2 10 1 0 1 11 1 0 11 12 1 0 S SKP 6 AUTODRAW FALSE ID Beta-L-Allose.mol FORMULA C6H12O6 EXACTMASS 180.063388116 AVERAGEMASS 180.15588 SMILES OCC(O1)C(O)C(O)C(O)C(O)1 M END