Mol:FL3FA9CS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.1119 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -2.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -0.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -2.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -2.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 -1.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 1.3717 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 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 32 2 1 0 0 0 0 29 37 1 0 0 0 0 38 39 1 0 0 0 0 18 38 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 CH2OH M SBV 1 43 -0.4933 -0.4933 S SKP 5 ID FL3FA9CS0002 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES C(C5O)OC(C(C5O)O)c(c3O)c(O)c(c2c3C(O4)C(C(C(O)C4CO)O)O)C(=O)C=C(O2)c(c1)cccc1 M END