Mol:FL5FFCGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.1904 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -1.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 -1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -1.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 -1.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9153 2.4498 0.0000 C 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 23 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 25 20 1 0 0 0 0 30 31 1 0 0 0 0 27 30 1 0 0 0 0 32 33 1 0 0 0 0 6 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -0.0026 0.6886 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 36 M SMT 2 OCH3 M SBV 2 36 0.0000 -0.7399 S SKP 5 ID FL5FFCGS0011 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O)c(O3)c(c(O)c2)OC)=O)1)(O)C(O)C(O1)CO M END