Mol:FL5FDFGL0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -3.2024 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 -3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -2.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 -2.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 -0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -3.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -3.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 -3.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7879 -0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4632 2.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 2.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 3.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 2.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 2.7783 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 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 18 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 22 35 1 0 0 0 0 34 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 31 8 1 0 0 0 0 26 31 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 3 40 1 0 0 0 0 42 43 1 0 0 0 0 1 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 15 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 OCH3 M SBV 1 45 0.0000 0.7737 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 0.6309 -0.4865 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 0.0000 -0.6860 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 -0.6469 -0.3928 S SKP 5 ID FL5FDFGL0001 FORMULA C31H38O16 EXACTMASS 666.215985168 AVERAGEMASS 666.62382 SMILES O=C(C=2OC(C4O)OC(COC(C5O)OC(C(C(O)5)O)C)C(C(O)4)O)c(c(OC(c(c3)cc(OC)c(OC)c3)2)1)c(cc(OC)c1)OC M END
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