Mol:Beta-D-Mannuronic acid.mol
From Metabolomics.JP
metabolomics.jp 13 13 0 0 0 0 0 0 0 0999 V2000 0.5895 -0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 0.3094 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 2 0 11 13 1 0 S SKP 6 AUTODRAW FALSE ID Beta-D-Mannuronic acid.mol FORMULA C6H10O7 EXACTMASS 194.042652674 AVERAGEMASS 194.1394 SMILES OC(=O)C(O1)C(O)C(O)C(O)C(O)1 M END