Mol:FL5FAGGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -3.5351 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 -1.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2361 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -1.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -1.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 -1.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -2.4984 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 14 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 23 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 -0.9151 -0.1017 S SKP 5 ID FL5FAGGS0005 FORMULA C21H18O14 EXACTMASS 494.06965528399996 AVERAGEMASS 494.35922 SMILES C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)O1)O)O M END