Mol:FL5FAIGL0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -3.4824 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 -0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 1.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -1.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 1.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -2.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 -2.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 0.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 -0.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -1.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -3.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -3.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -4.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1832 1.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 2.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 4.1065 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 3 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 1 41 1 0 0 0 0 15 42 1 0 0 0 0 43 44 1 0 0 0 0 14 43 1 0 0 0 0 45 46 1 0 0 0 0 16 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 -0.6235 0.3600 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 45 46 M SBL 2 1 50 M SMT 2 OCH3 M SBV 2 50 0.0000 -0.6813 S SKP 5 ID FL5FAIGL0002 FORMULA C29H34O17 EXACTMASS 654.179599662 AVERAGEMASS 654.57006 SMILES c(C(O2)=C(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)O)C(=O)c(c(O)3)c2cc(c3)O)(c1)cc(c(c1OC)O)OC M END
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