Mol:FL5FADGL0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.8445 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 2.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 -0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 -2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 -2.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9706 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5066 0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 3.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 4.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -4.2286 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 21 23 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 20 1 0 0 0 0 40 41 1 0 0 0 0 16 40 1 0 0 0 0 42 43 1 0 0 0 0 25 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 OCH3 M SBV 1 45 0.0057 -0.6976 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -0.6299 0.5811 S SKP 5 ID FL5FADGL0013 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(c(C3=O)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2OC)O)O M END