Mol:Alpha-D-Glucuronic acid.mol
From Metabolomics.JP
metabolomics.jp 13 13 0 0 0 0 0 0 0 0999 V2000 0.9879 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 -0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -1.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 -0.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 1.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.7219 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 Alpha-D-Glucuronic 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