Mol:FL5FCEGL0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -2.0552 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0552 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0498 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8801 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8801 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 -0.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -2.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -0.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0918 -1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -2.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5945 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 -1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 -1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6791 2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.4908 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 32 34 1 0 0 0 0 31 35 1 0 0 0 0 30 36 1 0 0 0 0 24 37 1 0 0 0 0 36 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 28 18 1 0 0 0 0 16 41 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 19 1 0 0 0 0 51 52 1 0 0 0 0 15 51 1 0 0 0 0 53 54 1 0 0 0 0 1 53 1 0 0 0 0 55 56 1 0 0 0 0 47 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 OCH3 M SBV 1 57 -0.7990 -0.4613 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 ^ OCH3 M SBV 2 59 0.6758 -0.4280 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 55 56 M SBL 3 1 61 M SMT 3 ^ CH2OH M SBV 3 61 0.5838 -0.5422 S SKP 5 ID FL5FCEGL0004 FORMULA C35H44O21 EXACTMASS 800.23750847 AVERAGEMASS 800.71126 SMILES O(C(CO)6)C(C(C(C(O)6)O)O)Oc(c12)cc(cc1OC(c(c5)ccc(OC)c(O)5)=C(OC(O3)C(C(C(O)C(COC(C4O)OC(C)C(C4O)O)3)O)O)C2=O)OC M END