Mol:FL5FADGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.6406 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3548 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8015 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 -2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 -2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -3.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -2.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 3.2526 0.0000 C 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 20 15 1 0 0 0 0 8 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 19 1 0 0 0 0 31 32 1 0 0 0 0 27 31 1 0 0 0 0 33 34 1 0 0 0 0 16 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 ^ CH2OH M SBV 1 35 0.3817 -1.0942 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 0.0000 -0.7543 S SKP 5 ID FL5FADGS0006 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C M END