Mol:FL5FAAGA0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.5706 1.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5706 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 1.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 2.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 1.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 2.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 0.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 1.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 3.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 3.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 3.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2714 2.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 3.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -1.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -0.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0397 -1.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7889 -2.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8267 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 -0.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 0.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 -2.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -3.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7798 -3.6138 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 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 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 30 28 1 0 0 0 0 33 38 1 0 0 0 0 22 39 1 0 0 0 0 27 8 1 0 0 0 0 40 41 1 0 0 0 0 21 40 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 -0.0907 0.9581 S SKP 5 ID FL5FAAGA0004 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(O4)(c(C(C(=C4c(c5)ccc(c5)O)OC(O2)C(OC(C3O)OCC(C3O)O)C(O)C(C2CO)O)=O)1)cc(O)cc1O M END
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