Mol:FLIBALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.6966 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -1.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 14 26 1 0 0 0 0 S SKP 8 ID FLIBALNI0001 KNApSAcK_ID C00002541 NAME Kievitone CAS_RN 40105-60-0 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(O)cc(O)c2)1 M END