Mol:FL3FABGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 48 52 0 0 0 0 0 0 0 0999 V2000 -1.2198 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -2.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -1.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -3.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4891 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6537 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1051 -0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0572 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5372 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1396 -0.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 2.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 2.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0763 1.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0595 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 1.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5662 2.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 1.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5931 1.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -1.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -0.5570 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 19 3 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 29 26 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 33 29 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 35 38 1 0 0 0 0 23 18 1 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 40 45 2 0 0 0 0 22 46 1 0 0 0 0 47 48 1 0 0 0 0 15 47 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 47 48 M SBL 1 1 52 M SMT 1 OCH3 M SBV 1 52 -0.7141 -0.4124 S SKP 5 ID FL3FABGS0010 FORMULA C33H40O15 EXACTMASS 676.23672061 AVERAGEMASS 676.6617 SMILES O(C(C5O)OC(C(C5O)O)COC(O4)C(C(O)C(C4C)O)OC(C(C)CC)=O)c(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(c2)OC M END