Mol:FL3FEAGS0036
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.2096 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -1.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -0.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2123 -0.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8994 -0.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 -1.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -2.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2582 -1.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5779 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 -1.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3405 -2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 -2.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 -2.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 1.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 1.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 2.8992 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 2 19 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 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 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 29 30 1 0 0 0 0 33 28 1 0 0 0 0 23 19 1 0 0 0 0 32 37 1 0 0 0 0 38 39 1 0 0 0 0 15 38 1 0 0 0 0 40 41 1 0 0 0 0 25 40 1 0 0 0 0 42 43 1 0 0 0 0 1 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 OCH3 M SBV 1 43 -0.6065 -0.3501 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 45 M SMT 2 ^ CH2OH M SBV 2 45 0.8436 -0.6343 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 42 43 M SBL 3 1 47 M SMT 3 ^ OCH3 M SBV 3 47 0.4714 -0.8166 S SKP 5 ID FL3FEAGS0036 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES C(C(O2)C(O)C(C(C(Oc(c5O)c(OC)cc(c35)OC(c(c4)ccc(OC)c4)=CC3=O)2)OC(O1)C(C(O)C(C1)O)O)O)O M END
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