Mol:FL5FAEGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.6030 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 -1.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -1.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 -2.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 0.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 2.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 -1.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9622 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6414 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4765 -1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 -1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8176 -0.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5454 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1638 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7858 1.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6824 1.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 0.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1854 0.9636 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 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 4 3 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 21 8 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 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 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 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 33 38 1 0 0 0 0 38 28 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 37 41 1 0 0 0 0 32 42 1 0 0 0 0 25 19 1 0 0 0 0 43 44 1 0 0 0 0 15 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 -0.6569 -0.3868 S SKP 5 ID FL5FAEGS0004 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES COc(c5)c(O)cc(c5)C(=C(O)4)Oc(c3C4=O)cc(cc3O)OC(O1)C(O)C(O)C(O)C(COC(O2)C(C(C(O)C(C)2)O)O)1 M END