Mol:PR100904
From Metabolomics.JP
12 11 0 0 0 0 0 0 0 0999 V2000 25.6955 -19.7411 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.6955 -18.3448 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.6955 -21.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.0978 -19.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6955 -16.9366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 24.2992 -18.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6955 -22.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0978 -21.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6955 -15.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2992 -16.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9109 -23.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9109 -14.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 S SKP 7 CAS_RN 69-65-8 NAME D-(-)-Mannitol ID PR100904 FORMULA C6H14O6 EXACTMASS 182.07903818 AVERAGEMASS 182.17176 SMILES OCC(O)C(O)C(O)C(O)CO M END