Mol:FL5FADGS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.6211 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -2.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 1.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -2.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 1.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 -2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9308 -2.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -3.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -3.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 -2.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -1.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8354 -2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 -2.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9055 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 0.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9055 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 2.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2985 1.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 0.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 2.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 3.3332 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 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 21 23 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 20 1 0 0 0 0 41 42 1 0 0 0 0 16 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 OCH3 M SBV 1 46 0.0057 -0.6357 S SKP 5 ID FL5FADGS0013 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(c(c2)cc(O)c(C3=O)c(OC(c(c5)ccc(c5OC)O)=C3OC(C4O)OCC(C4O)O)2)C(C(O)1)OC(C)C(O)C1O M END
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