Mol:FL5FAAGS0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 50 55 0 0 0 0 0 0 0 0999 V2000 -2.9667 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 -0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 0.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 0.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 -1.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 2.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7905 1.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 2.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 2.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 3.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 3.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 2.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9985 1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -1.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 -1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 -2.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 -1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -2.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -0.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 -1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -2.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 -3.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -2.2303 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 46 47 1 0 0 0 0 41 48 1 0 0 0 0 42 49 1 0 0 0 0 43 50 1 0 0 0 0 45 19 1 0 0 0 0 32 47 1 0 0 0 0 S SKP 5 ID FL5FAAGS0040 FORMULA C32H38O18 EXACTMASS 710.205814412 AVERAGEMASS 710.6333199999999 SMILES C(c(c6)ccc(c6)O)(=C(OC(O4)C(OC(C5O)OCC(O)C5O)C(O)C(O)C4C)3)Oc(c(C3=O)1)cc(OC(C2O)OC(C)C(C2O)O)cc1O M END