Mol:Beta-D-Xylulose.mol
From Metabolomics.JP
metabolomics.jp 10 10 0 0 0 0 0 0 0 0999 V2000 -0.3572 0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 1.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 -0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 0.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 -0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -1.0827 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 7 10 1 0 S SKP 6 AUTODRAW FALSE ID Beta-D-Xylulose.mol FORMULA C5H10O5 EXACTMASS 150.05282343 AVERAGEMASS 150.12990000000002 SMILES OCC(O)(O1)C(O)C(O)C1 M END