Mol:FL5FFCGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.2024 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -2.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -0.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -3.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 -2.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 0.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -0.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6156 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 0.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5342 2.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 1.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 3.2351 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 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 6 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 23 27 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 29 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 33 34 35 M SBL 1 1 38 M SMT 1 COOH M SBV 1 38 -0.2587 -0.8096 S SKP 5 ID FL5FFCGS0006 FORMULA C21H18O14 EXACTMASS 494.06965528399996 AVERAGEMASS 494.35922 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O M END