Mol:Beta-D-Psicose 5.mol
From Metabolomics.JP
metabolomics.jp 12 12 0 0 0 0 0 0 0 0999 V2000 -0.2062 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 1.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -1.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 3 1 1 1 1 4 1 0 3 5 1 0 5 6 1 0 6 2 1 0 2 7 1 0 2 8 1 0 3 9 1 0 5 10 1 0 10 11 1 0 7 12 1 0 S SKP 6 AUTODRAW FALSE ID Beta-D-Psicose 5.mol FORMULA C6H12O6 EXACTMASS 180.063388116 AVERAGEMASS 180.15588 SMILES OCC(O1)C(O)C(O)C(O)(CO)1 M END