Mol:Alpha-L-Altrose.mol
From Metabolomics.JP
metabolomics.jp 12 12 0 0 0 0 0 0 0 0999 V2000 -0.0400 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 -1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 -0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 0.5562 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 Alpha-L-Altrose.mol FORMULA C6H12O6 EXACTMASS 180.063388116 AVERAGEMASS 180.15588 SMILES OCC(O1)C(O)C(O)C(O)C(O)1 M END