Mol:Alpha-D-Gulose.mol
From Metabolomics.JP
metabolomics.jp 12 12 0 0 0 0 0 0 0 0999 V2000 0.8353 0.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -1.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 0.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -1.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 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-Gulose.mol FORMULA C6H12O6 EXACTMASS 180.063388116 AVERAGEMASS 180.15588 SMILES OCC(O1)C(O)C(O)C(O)C(O)1 M END