Mol:FL5FGCGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -2.5863 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 2.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 0.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 2.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 -3.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -3.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 -3.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -1.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 -2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 -3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -2.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -2.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7848 -3.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 -3.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -3.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -1.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 -3.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -3.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 1.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 2.7374 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 25 27 1 0 0 0 0 22 20 1 0 0 0 0 3 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 26 37 1 0 0 0 0 37 29 1 0 0 0 0 21 38 1 0 0 0 0 30 39 1 0 0 0 0 40 41 1 0 0 0 0 24 40 1 0 0 0 0 42 43 1 0 0 0 0 2 42 1 0 0 0 0 44 45 1 0 0 0 0 16 44 1 0 0 0 0 46 47 1 0 0 0 0 6 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -0.0934 0.7884 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 ^ OCH3 M SBV 2 47 0.6758 0.3864 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 44 45 M SBL 3 1 49 M SMT 3 OCH3 M SBV 3 49 -0.0149 -0.6768 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 46 47 M SBL 4 1 51 M SMT 4 OCH3 M SBV 4 51 -0.0285 -0.6727 S SKP 5 ID FL5FGCGA0001 FORMULA C29H34O18 EXACTMASS 670.174514284 AVERAGEMASS 670.5694599999999 SMILES C(C1O)(OC(C(=O)4)=C(Oc(c5OC)c(c(c(c5O)OC)O)4)c(c3)ccc(c3OC)O)OC(C(O)C(OC(O2)C(C(O)C(O)C2)O)1)CO M END