Mol:FL5FACGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -3.9916 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9916 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 0.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -2.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6924 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8024 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 -1.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 -1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 -1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -0.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -0.9025 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 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 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 2 0 0 0 0 23 35 1 0 0 0 0 32 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 2 38 39 M SMT 1 CO M SBV 1 38 -0.8732 -0.1171 M SBV 1 39 0.4744 -0.6806 S SKP 5 ID FL5FACGS0010 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C(O)2)OC(C(O)C(O)2)C(=O)OCC)1)cc(c(c1)O)O M END