Mol:FL3FFCGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.7869 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -1.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -0.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -3.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -3.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 2.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4123 1.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 1.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6538 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1778 2.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1387 2.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 0.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 3.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 2.5694 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 16 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 20 1 0 0 0 0 31 32 1 0 0 0 0 15 31 1 0 0 0 0 33 34 1 0 0 0 0 27 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 OCH3 M SBV 1 35 -0.9212 -0.6677 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 ^CH2OH M SBV 2 37 0.2691 -1.2248 S SKP 5 ID FL3FFCGS0015 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES Oc(c24)cc(c(c(OC(=CC4=O)c(c3)ccc(c3O)OC)2)OC(O1)C(O)C(C(C(CO)1)O)O)O M END