Mol:FL5FACGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 -2.4746 0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 -0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 -0.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -1.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 -1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 -0.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 -1.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 -2.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 2.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 -1.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 1.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 1.3871 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 1.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 2.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 0.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 3.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 -2.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -3.2567 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 31 34 2 0 0 0 0 1 32 1 0 0 0 0 16 35 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 22 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 36 37 38 M SBL 1 1 41 M SMT 1 COOH M SBV 1 41 -0.8383 0.5488 S SKP 5 ID FL5FACGSS001 FORMULA C21H18O16S EXACTMASS 558.031555218 AVERAGEMASS 558.42402 SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C4=O)=C(Oc(c34)cc(cc3O)OS(O)(=O)=O)c(c2)cc(c(O)c2)O)O1)O)O M END