Mol:FL4DAANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.0635 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 13 2 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 11 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 1 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 2 26 1 0 0 0 0 S SKP 8 ID FL4DAANI0001 KNApSAcK_ID C00008613 NAME Shuterin CAS_RN 105377-77-3 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES c(c3)c(ccc(O)3)C(C2O)Oc(c1C2=O)cc(c(CC=C(C)C)c1O)O M END