Mol:FL5FCGCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.9220 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 -1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -2.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 1.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2215 -2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0181 1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2801 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 2.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 2.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 -0.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -1.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 1.3595 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 3 11 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 9 12 1 0 0 0 0 15 18 1 0 0 0 0 7 19 2 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 6 23 1 0 0 0 0 16 30 1 0 0 0 0 14 31 1 0 0 0 0 8 32 1 0 0 0 0 33 34 1 0 0 0 0 1 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 ^ OCH3 M SBV 1 37 0.6387 -0.3279 S SKP 5 ID FL5FCGCS0001 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(c3C(C4O)OC(C)C(C4O)O)(cc(O)c(c31)C(C(O)=C(c(c2)cc(O)c(O)c(O)2)O1)=O)OC M END