Mol:FL1AACGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.0362 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1071 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 -0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 -1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8314 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1456 0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 -0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 1.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 15 18 1 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 6 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 10 1 0 0 0 0 27 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 31 32 33 M SBL 1 1 34 M SMT 1 HOO^C M SBV 1 34 0.4801 -0.5993 S SKP 5 ID FL1AACGS0004 FORMULA C21H18O12 EXACTMASS 462.07982604 AVERAGEMASS 462.36042 SMILES c(c1)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(o2)c(c(c(=Cc(c3)ccc(c3O)O)2)=O)c1O M END