Mol:FL5FDGGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.0287 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -1.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -1.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 1.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 -0.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 -0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8645 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3281 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -0.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2998 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 1.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2998 1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 1.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -1.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -2.5123 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 15 1 0 0 0 0 1 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 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 21 24 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 20 1 0 0 0 0 42 43 1 0 0 0 0 8 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 OCH3 M SBV 1 47 -0.7897 0.4560 S SKP 5 ID FL5FDGGS0004 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c(OC(C5O)OCC(C5O)O)1)c(C(O4)=C(C(=O)c(c43)c(O)cc(c3)OC(C(O)2)OC(C)C(O)C2O)OC)cc(O)c(O)1 M END
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