Mol:Alpha-D-Iduronic acid.mol
From Metabolomics.JP
metabolomics.jp 13 13 0 0 0 0 0 0 0 0999 V2000 -0.5895 -0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 -0.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -0.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 -1.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -0.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 1.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.1543 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 11 13 2 0 S SKP 6 AUTODRAW FALSE ID Alpha-D-Iduronic 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