Mol:FL7AAGGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -2.2157 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 1.5219 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3564 1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 1.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 1.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -0.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 -1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 -2.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 -2.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -2.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -0.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 -2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -0.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -1.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -0.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 -1.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 -1.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -3.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -3.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0907 -0.1828 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 22 8 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 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 29 32 1 0 0 0 0 24 22 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 20 1 0 0 0 0 50 51 1 0 0 0 0 26 50 1 0 0 0 0 52 53 1 0 0 0 0 46 52 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 ^ CH2OH M SBV 1 56 0.0254 0.6870 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 0.5791 -0.5235 S SKP 5 ID FL7AAGGL0010 FORMULA C32H39O21 EXACTMASS 759.19838331 AVERAGEMASS 759.63946 SMILES c(c23)(cc(cc2[o+1]c(c(c6)cc(c(O)c(O)6)O)c(OC(C4OC(C5O)OCC(O)C5O)OC(CO)C(O)C4O)c3)O)OC(C(O)1)OC(CO)C(O)C1O M END