Mol:Alpha-L-Galacturonic acid.mol
From Metabolomics.JP
metabolomics.jp 13 13 0 0 0 0 0 0 0 0999 V2000 -0.0837 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 -0.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 -0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.7387 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 2 0 11 13 1 0 S SKP 6 AUTODRAW FALSE ID Alpha-L-Galacturonic 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