Mol:FL5FECGL0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -3.1573 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 1.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 -1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -3.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4193 -3.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 -3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 -3.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0572 -3.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -3.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0594 -3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4382 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 -0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -3.0822 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 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 19 3 1 0 0 0 0 15 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 24 21 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 42 32 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 43 1 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 43 29 1 0 0 0 0 50 51 1 0 0 0 0 2 50 1 0 0 0 0 52 53 1 0 0 0 0 45 52 1 0 0 0 0 54 55 1 0 0 0 0 38 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 ^OCH3 M SBV 1 56 0.7373 0.4257 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 CH2OH M SBV 2 58 0.0000 0.5694 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 1 60 M SMT 3 ^CH2OH M SBV 3 60 0.5516 -0.6346 S SKP 5 ID FL5FECGL0007 FORMULA C33H40O22 EXACTMASS 788.201122964 AVERAGEMASS 788.6575 SMILES c(O)(c1)c(O)cc(C(=C(OC(O4)C(OC(C6O)OCC(O)6CO)C(O)C(O)C4COC(C(O)5)OC(CO)C(O)C5O)3)Oc(c(C3=O)2)cc(O)c(OC)c2O)c1 M END